Geometry & MOs

Info

ID:	140111
PubChem CID:	52649396
Reduced:	OF3N3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	356.127326
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.064679
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-methylphenoxy)pyridin-3-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC4=CC=CC=C4C=C3)C(F)(F)F

DOS

IR

Vibrations