Geometry & MOs

Info

ID:

447985

PubChem CID:

135287331

Reduced:

SN8H20C24 (1)

Stoich.:

AB8C20D24 (1)

Weight, g/mol:

496.224769

ΔHf, kcal/mol:

237.84

Dipole, Da:

11.48

IP(EA), eV:

 -8.34(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CSC=C6

DOS

IR

Vibrations