Geometry & MOs

Info

ID:	393501
PubChem CID:	135020855
Reduced:	NO2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	259.048072
ΔH_f, kcal/mol:	68.17
Dipole, Da:	6.8
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-2-nitrophenyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations