Geometry & MOs

Info

ID:	50997
PubChem CID:	12013604
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	5.8
IP(EA), eV:	-9.65(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(C=CC1)(C)C(=O)O

DOS

IR

Vibrations