Geometry & MOs

Info

ID:	425509
PubChem CID:	135126581
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	365.135111
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	3.24
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-hydroxypyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1CCN(CC1)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations