Geometry & MOs

Info

ID:	69565
PubChem CID:	47193745
Reduced:	FION2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	398.01029
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)NC2=CC=C(C=C2)I)F

DOS

IR

Vibrations