Geometry & MOs

Info

ID:	153342
PubChem CID:	56312525
Reduced:	FON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	3.77
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations