Geometry & MOs

Info

ID:	393954
PubChem CID:	135022043
Reduced:	SiO3C22H40 (1)
Stoich.:	AB3C22D40 (1)
Weight, g/mol:	350.188195
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	2.19
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-benzylidene-6,7-dimethoxyspiro[1H-isochromene-3,1'-cyclohexane]

Drug info:

PubChemData

Smile

C[C@H](CCC(C(C)(C)O)O)C/C=C/C#C/C=C/CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations