Geometry & MOs

Info

ID:	126037
PubChem CID:	50949213
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	3.87
IP(EA), eV:	-8.84(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC=C(C1)CCNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations