Geometry & MOs

Info

ID:	363685
PubChem CID:	127313303
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	6.44
IP(EA), eV:	-8.68(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCC4=C(C3)N=C(N4C)C(C)C

DOS

IR

Vibrations