Geometry & MOs

Info

ID:	130559
PubChem CID:	51091228
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	2.07
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(benzimidazol-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(=O)N2CCC3=C(CC2)C=C(C=C3)O

DOS

IR

Vibrations