Geometry & MOs

Info

ID:	128620
PubChem CID:	51052305
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	10.27
Dipole, Da:	7.65
IP(EA), eV:	-8.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C(C(=O)C1=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations