Geometry & MOs

Info

ID:	399829
PubChem CID:	135042967
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	135.044604
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	1.58
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-methylidenecyclohexa-1,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/[C@@H]1C=CC2=CC=CC=C2[C@@H]1O

DOS

IR

Vibrations