Geometry & MOs

Info

ID:	404634
PubChem CID:	135068118
Reduced:	SiO4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-226.92
Dipole, Da:	2.09
IP(EA), eV:	-8.95(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,4R,6S,8aS)-4-benzyl-3,6-dimethyl-1,2,3,4,5,7,8,8a-octahydroazulene-3a,6-diol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(C1=COC=C1)C2(CCCCC2)C(=O)OC

DOS

IR

Vibrations