Geometry & MOs

Info

ID:	414005
PubChem CID:	135086958
Reduced:	NO2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-16.96
Dipole, Da:	8.26
IP(EA), eV:	-9.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-2,2,3-trimethylcyclopentan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C=O

DOS

IR

Vibrations