Geometry & MOs

Info

ID:	136394
PubChem CID:	52032221
Reduced:	FON2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	482.13174
ΔH_f, kcal/mol:	-128.55
Dipole, Da:	2.8
IP(EA), eV:	-8.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-3-[3-[(3R)-3-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(=CC(=C4)F)F

DOS

IR

Vibrations