Geometry & MOs

Info

ID:	169085
PubChem CID:	75061595
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	348.095751
ΔH_f, kcal/mol:	41.7
Dipole, Da:	2.13
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene;hydrate

Drug info:

PubChemData

Smile

CC1=CC(=O)C2C(=N1)C=CC=C2OC

DOS

IR

Vibrations