Geometry & MOs

Info

ID:	375075
PubChem CID:	131465739
Reduced:	NSO4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	240.03017
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	7.16
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-chloro-6-nitro-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C(=CS2)O)[N+](=O)[O-]

DOS

IR

Vibrations