Geometry & MOs

Info

ID:	72206
PubChem CID:	48415923
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	3.47
IP(EA), eV:	-8.94(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-fluorophenoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations