Geometry & MOs

Info

ID:	399407
PubChem CID:	135040143
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	4.23
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-6,8-dimethyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CN(C1=CC(=O)CCC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations