Geometry & MOs

Info

ID:	220441
PubChem CID:	85195368
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,3-trimethylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)CC=CC#CC1=CC=CC=C1

DOS

IR

Vibrations