Geometry & MOs

Info

ID:	48519
PubChem CID:	10852289
Reduced:	NO3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	308.100836
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	6.54
IP(EA), eV:	-10.08(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitrobenzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)/C=C/C(=O)ONC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations