Geometry & MOs

Info

ID:	186968
PubChem CID:	77509022
Reduced:	ON4C13H13 (2)
Stoich.:	AB4C13D13 (2)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	35.69
Dipole, Da:	6.8
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3aH-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NC2=CC=CC(=C2)NC3=NC(=NC=N3)N4CCC(CC4)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations