Geometry & MOs

Info

ID:	356103
PubChem CID:	127291139
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	392.122688
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	2.51
IP(EA), eV:	-9.01(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C(=O)NC2CCCOC2

DOS

IR

Vibrations