Geometry & MOs

Info

ID:	72295
PubChem CID:	48416015
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	6.71
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-cyano-2-methoxyphenoxy)-N-methylbutanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)COC4=CC=CC=C4OC

DOS

IR

Vibrations