Geometry & MOs

Info

ID:	61926
PubChem CID:	26715904
Reduced:	ClN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	425.148175
ΔH_f, kcal/mol:	-152.59
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NNC(=O)CC2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations