Geometry & MOs

Info

ID:	121076
PubChem CID:	50755084
Reduced:	ClO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	15.49
Dipole, Da:	4.88
IP(EA), eV:	-9.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NC(=NO2)CNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations