Geometry & MOs

Info

ID:	136392
PubChem CID:	52032219
Reduced:	O2F3N4C25H27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	456.172832
ΔH_f, kcal/mol:	-195.43
Dipole, Da:	4.68
IP(EA), eV:	-8.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-methylpiperidin-1-yl)-2-oxoquinoxalin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations