Geometry & MOs

Info

ID:	394583
PubChem CID:	135023257
Reduced:	SiO2C20H32 (1)
Stoich.:	AB2C20D32 (1)
Weight, g/mol:	442.250795
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	2.12
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-bis(phenylmethoxymethyl)-1,2,3,5,5a,6,7,9-octahydrobenzo[g]azulen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCCC2C1=CC3=C(CCC3)C(=O)C2

DOS

IR

Vibrations