Geometry & MOs

Info

ID:	407766
PubChem CID:	135080521
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	187.105922
ΔH_f, kcal/mol:	-18.81
Dipole, Da:	2.66
IP(EA), eV:	-9.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C(=O)C(=C(C)C)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations