Geometry & MOs

Info

ID:	382778
PubChem CID:	134974117
Reduced:	OC7H11 (1)
Stoich.:	AB7C11 (1)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-34.74
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763473
Charge, e:	0

Chem-info

IUPAC name:

[(3'aS,4'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-yl]methanol

Drug info:

PubChemData

Smile

CC1(CC[CH+]C1=O)C

DOS

IR

Vibrations