Geometry & MOs

Info

ID:	343148
PubChem CID:	127266321
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	331.114376
ΔH_f, kcal/mol:	-40.53
Dipole, Da:	4.36
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NOC=C1CNC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C

DOS

IR

Vibrations