Geometry & MOs

Info

ID:	233169
PubChem CID:	87692771
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	6.76
Dipole, Da:	1.33
IP(EA), eV:	-8.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-cyano-2-hydroxy-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

C=CC=C1CCOC2=CC=CC=C12

DOS

IR

Vibrations