Geometry & MOs

Info

ID:	433983
PubChem CID:	135174133
Reduced:	OCl2F3N3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	465.104259
ΔH_f, kcal/mol:	-172.67
Dipole, Da:	2.79
IP(EA), eV:	-9.13(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(azetidin-3-ylmethylamino)methyl]-2-chlorophenyl]-2,4-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations