Geometry & MOs

Info

ID:	38459
PubChem CID:	8094604
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	2.79
IP(EA), eV:	-9.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CN2C(=O)[C@](NC2=O)(CC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations