Geometry & MOs

Info

ID:	25315
PubChem CID:	622774
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	-132.03
Dipole, Da:	2.47
IP(EA), eV:	-8.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxy-2-methylsulfanyl-5-(2-nitroprop-1-enyl)benzene

Drug info:

PubChemData

Smile

CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations