Geometry & MOs

Info

ID:	58605
PubChem CID:	24712274
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	9.1
IP(EA), eV:	-8.57(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC2CCCO2)C(=O)C

DOS

IR

Vibrations