Geometry & MOs

Info

ID:	379509
PubChem CID:	134437896
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	408.98427
ΔH_f, kcal/mol:	-3.05
Dipole, Da:	3.38
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-8-iodo-6-methylquinoxalin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCC(C)C1=CN=CC2=C1C=CO2

DOS

IR

Vibrations