Geometry & MOs

Info

ID:	143003
PubChem CID:	53131389
Reduced:	ClFON3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	347.124547
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	2.65
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3H-benzimidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CCC(=O)NCC3=CC(=C(C=C3)F)Cl)NC=N2

DOS

IR

Vibrations