Geometry & MOs

Info

ID:	373373
PubChem CID:	131314355
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	4.71
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-nitro-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H](C1=C2C=CNC2=NC=C1)N

DOS

IR

Vibrations