Geometry & MOs

Info

ID:	373830
PubChem CID:	131320450
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	225.019271
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	6.21
IP(EA), eV:	-9.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations