Geometry & MOs

Info

ID:	13290
PubChem CID:	224985
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	8.53
IP(EA), eV:	-8.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-1-(2-nitrobut-1-enyl)benzene

Drug info:

PubChemData

Smile

CCC(=CC1=C(C=C(C=C1)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations