Geometry & MOs

Info

ID:	22163
PubChem CID:	596132
Reduced:	OC16H26 (1)
Stoich.:	AB16C26 (1)
Weight, g/mol:	234.198365
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	3.72
IP(EA), eV:	-9.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations