Geometry & MOs

Info

ID:	121363
PubChem CID:	50765216
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	3.48
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-(3,5-dimethylanilino)-6,7-dimethylquinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C1=NC2=CC=CC=C2N=C1NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations