Geometry & MOs

Info

ID:	156812
PubChem CID:	56394455
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	496.185288
ΔH_f, kcal/mol:	-121.11
Dipole, Da:	3.35
IP(EA), eV:	-8.43(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations