Geometry & MOs

Info

ID:	143002
PubChem CID:	53131327
Reduced:	FON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	331.088768
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	4.23
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3H-benzimidazol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCC2=CC3=C(C=C2)N=C(N3)C(C)C

DOS

IR

Vibrations