Geometry & MOs

Info

ID:	396531
PubChem CID:	135028672
Reduced:	SH13C15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	89.34
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.334393
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,6Z,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethylidene-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C=[C]C2=CC=CC=C2

DOS

IR

Vibrations