Geometry & MOs

Info

ID:	449664
PubChem CID:	135300416
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	407.199762
ΔH_f, kcal/mol:	-180.5
Dipole, Da:	6.13
IP(EA), eV:	-9.17(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-diphenylquinoxalin-6-yl)-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations