Geometry & MOs

Info

ID:	85502
PubChem CID:	49876117
Reduced:	ClNSO2H19C24 (1)
Stoich.:	ABCD2E19F24 (1)
Weight, g/mol:	371.07986
ΔH_f, kcal/mol:	11.69
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.627093
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 2-methyl-6-nitro-4-phenylquinoline-3-carboxylate;chloride

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6.[Cl-]

DOS

IR

Vibrations