Geometry & MOs

Info

ID:	381206
PubChem CID:	134971864
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-152.6
Dipole, Da:	2.1
IP(EA), eV:	-9.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R)-3,5,5-trimethyl-4-phenylmethoxyspiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]-1-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)C(=C)C1COC2(C3CC4CC(C3)CC2C4)OO1

DOS

IR

Vibrations