Geometry & MOs

Info

ID:	71986
PubChem CID:	48415688
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	3.18
Dipole, Da:	5.46
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,2-dimethyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)C

DOS

IR

Vibrations