Geometry & MOs

Info

ID:	395788
PubChem CID:	135026540
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	448.00587
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	3.79
IP(EA), eV:	-9.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-3-(4-nitroanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1O[C@@]34CCC3[C@@H]2CC(=O)N4)CO

DOS

IR

Vibrations