Geometry & MOs

Info

ID:	171554
PubChem CID:	75393378
Reduced:	IO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	303.119461
ΔH_f, kcal/mol:	10.28
Dipole, Da:	4.89
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCCN1C=CN=C1)C(=O)C2=NC(=C(C=C2)OC)I

DOS

IR

Vibrations