Geometry & MOs

Info

ID:	72193
PubChem CID:	48415910
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations