Geometry & MOs

Info

ID:	373829
PubChem CID:	131320449
Reduced:	BrNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	3.77
IP(EA), eV:	-8.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7-nitro-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C=C(C=C2N)Br

DOS

IR

Vibrations