Geometry & MOs

Info

ID:	356122
PubChem CID:	127291158
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	280.139862
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	1.24
IP(EA), eV:	-8.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3CCCOC3)C4=CC=CC=C4)OC

DOS

IR

Vibrations