Geometry & MOs

Info

ID:	434200
PubChem CID:	135174395
Reduced:	OH5C8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	13.7
Dipole, Da:	0.82
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-pent-1-en-2-yloxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C4=CC=CO4

DOS

IR

Vibrations