Geometry & MOs

Info

ID:	231091
PubChem CID:	87572610
Reduced:	NCl2O2C5H11 (1)
Stoich.:	AB2C2D5E11 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	4.92
IP(EA), eV:	-10.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-8-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)CC(Cl)Cl.N

DOS

IR

Vibrations