Geometry & MOs

Info

ID:	50996
PubChem CID:	12013603
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	5.06
IP(EA), eV:	-9.66(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(C=CCC=C1C)C(=O)O

DOS

IR

Vibrations