Geometry & MOs

Info

ID:	191365
PubChem CID:	78138033
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-142.03
Dipole, Da:	4.95
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(C=C(C(=O)C2(C)C)C(=O)OC)C)OC

DOS

IR

Vibrations