Geometry & MOs

Info

ID:

37685

PubChem CID:

8023212

Reduced:

NO3C18H30 (1)

Stoich.:

AB3C18D30 (1)

Weight, g/mol:

400.151096

ΔHf, kcal/mol:

-117.04

Dipole, Da:

2.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754971

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)[NH2+]C[C@H](COC1=CC=C(C=C1)CCC(=O)C)O

DOS

IR

Vibrations