Geometry & MOs

Info

ID:	153263
PubChem CID:	56312432
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	497.246061
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1-propylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

DOS

IR

Vibrations