Geometry & MOs

Info

ID:	222759
PubChem CID:	85332422
Reduced:	SiN4O4C28H36 (1)
Stoich.:	AB4C4D28E36 (1)
Weight, g/mol:	521.251478
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	6.36
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,N'-trimethyl-N'-[5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,2-diamine

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(C(CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2)N4C=C(N=C4)C(=O)N)O[Si](C)(C)C(C)(C)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(C(CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2)N4C=C(N=C4)C(=O)N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):