Geometry & MOs

Info

ID:	71992
PubChem CID:	48415694
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	28.53
Dipole, Da:	7.28
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(N=CC=C3)SC

DOS

IR

Vibrations