Geometry & MOs

Info

ID:	152811
PubChem CID:	56311885
Reduced:	OF2N2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	459.18821
ΔH_f, kcal/mol:	-103.39
Dipole, Da:	2.94
IP(EA), eV:	-8.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations