Geometry & MOs

Info

ID:	336746
PubChem CID:	127255753
Reduced:	NO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	8.95
IP(EA), eV:	-10.13(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-nitro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2[N+](=O)[O-])O

DOS

IR

Vibrations