Geometry & MOs

Info

ID:	309328
PubChem CID:	126545112
Reduced:	FO3N5H20C26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	499.200825
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	2.21
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[[4-(6-phenylmethoxypyridin-3-yl)isoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

COC(=O)N1CC2(C1)C3=C(C=NC=C3)N(C2=O)CC4=NC=C5C=C(C=CC5=C4C6=CN=CC=C6)F

DOS

IR

Vibrations