Geometry & MOs

Info

ID:	85081
PubChem CID:	49871635
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	3.7
IP(EA), eV:	-8.55(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-methylidene-5-phenylcyclopent-2-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(CC2=[N+](C3=CC=CC=C3C2=O)[O-])O

DOS

IR

Vibrations