Geometry & MOs

Info

ID:	72171
PubChem CID:	48415887
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-20.38
Dipole, Da:	7.9
IP(EA), eV:	-8.71(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations