Geometry & MOs

Info

ID:	167286
PubChem CID:	74803479
Reduced:	FO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	408.129692
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-5-phenylmethoxy-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C2=C3C(=C(C=C2)F)CC(O3)CNC(=O)C=CC4=CC=CC=N4)C

DOS

IR

Vibrations