Geometry & MOs

Info

ID:	187897
PubChem CID:	77640159
Reduced:	ClF2N2O4C43H45 (1)
Stoich.:	AB2C2D4E43F45 (1)
Weight, g/mol:	410.137275
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	6.1
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-methylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1COC(CN1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3F)C(C4=CC=CC=C4F)C(C5CN(CCO5)CC6=CC=CC=C6)(C7=CC=CC=C7)O)O.Cl

DOS

IR

Vibrations