Geometry & MOs

Info

ID:	322230
PubChem CID:	126669298
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	438.13219
ΔH_f, kcal/mol:	39.64
Dipole, Da:	4.57
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)N2C=NC3=C2C=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations