Geometry & MOs

Info

ID:	120981
PubChem CID:	50752601
Reduced:	BrO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	468.11609
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	6.12
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations