Geometry & MOs

Info

ID:	448073
PubChem CID:	135288228
Reduced:	BrFN3O8C20H21 (1)
Stoich.:	ABC3D8E20F21 (1)
Weight, g/mol:	480.182235
ΔH_f, kcal/mol:	-272.3
Dipole, Da:	4.69
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(2Z)-2-[5-[5-(propan-2-ylamino)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)Br)OC(=O)C)ON2C=C(N=N2)C3=CC=C(C=C3)F)OC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)Br)OC(=O)C)ON2C=C(N=N2)C3=CC=C(C=C3)F)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):