Geometry & MOs

Info

ID:	50999
PubChem CID:	12013607
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	5.48
IP(EA), eV:	-9.92(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-propan-2-ylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(C=CC(C=C1)C)C(=O)O

DOS

IR

Vibrations