Geometry & MOs

Info

ID:	72172
PubChem CID:	48415888
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	9.16
IP(EA), eV:	-8.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations