Geometry & MOs

Info

ID:	176344
PubChem CID:	76035693
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	5.37
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-[2-(2-methylpropyl)phenyl]ethenyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C=CC2(CCOC2=O)C

DOS

IR

Vibrations