Geometry & MOs

Info

ID:	61545
PubChem CID:	26710378
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	358.13044
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	6.34
IP(EA), eV:	-8.77(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)F

DOS

IR

Vibrations