Geometry & MOs

Info

ID:	163901
PubChem CID:	74380687
Reduced:	Cl2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	333.16079
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	7.68
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-chloro-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-pyrido[2,3-g]quinoxalin-2-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNC1=C(C=C(C=N1)C=CC(=O)NO)Cl.Cl

DOS

IR

Vibrations