Geometry & MOs

Info

ID:	220308
PubChem CID:	85177281
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methylidene]-1,6-dioxaspiro[4.4]non-3-ene

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC2=CC=CC=C2C=C1)C(=O)O)O

DOS

IR

Vibrations