Geometry & MOs

Info

ID:	403393
PubChem CID:	135060034
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	2.19
IP(EA), eV:	-9.87(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-benzylidene-6,6-dimethyloxan-2-one

Drug info:

PubChemData

Smile

CC(=C)[C@@H](/C(=C\CO)/C)O

DOS

IR

Vibrations