Geometry & MOs

Info

ID:	217839
PubChem CID:	85088475
Reduced:	ClO4N5C17H31 (1)
Stoich.:	AB4C5D17E31 (1)
Weight, g/mol:	409.14134
ΔH_f, kcal/mol:	-143.24
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755996
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(6-oxopiperidin-3-yl)methylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations