Geometry & MOs

Info

ID:	233683
PubChem CID:	92091374
Reduced:	N2F3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	341.12766
ΔH_f, kcal/mol:	-237.43
Dipole, Da:	6.41
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OC2CCN(C2)C(=O)C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations