Geometry & MOs

Info

ID:	136390
PubChem CID:	52031970
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	472.208611
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	3.09
IP(EA), eV:	-8.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylpiperidin-1-yl)-2-oxoquinoxalin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CCN2C3=CC=CC=C3N=C(C2=O)N4CCCC4

DOS

IR

Vibrations