Geometry & MOs

Info

ID:	394073
PubChem CID:	135022292
Reduced:	O4H24C25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.21
IP(EA), eV:	-8.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,7S,9aS,9bR)-2,2,7,9b-tetramethyl-5-propan-2-yl-4,6a,7,8,9,9a-hexahydro-3aH-azuleno[4,5-d][1,3]dioxole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\C(OCC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations