Geometry & MOs

Info

ID:	188271
PubChem CID:	77692306
Reduced:	N4O4C39H52 (1)
Stoich.:	A4B4C39D52 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	7.95
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-aminopiperidine-1-carbonyl)-5H-benzimidazol-2-yl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)N1CCC(CC1)CCN2CCCCC2)N3C(C(C3=O)N4C(COC4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6

DOS

IR

Vibrations