Geometry & MOs

Info

ID:	27322
PubChem CID:	820617
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	6.74
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-benzylidenebutanedioic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C[N+](=C2)[O-]

DOS

IR

Vibrations