Geometry & MOs

Info

ID:	340463
PubChem CID:	127262474
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	374.96617
ΔH_f, kcal/mol:	-63.61
Dipole, Da:	1.76
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-N-methylanilino)-3-chloronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)OC2=CC=C(C3=CC=CC=C32)O

DOS

IR

Vibrations