Geometry & MOs

Info

ID:	50718
PubChem CID:	12013301
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	6.71
IP(EA), eV:	-9.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-prop-2-enylspiro[2-benzofuran-3,3'-cyclohexane]-1,1'-dione

Drug info:

PubChemData

Smile

CC1CC2CCC(=O)C1C23C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations