Geometry & MOs

Info

ID:	398417
PubChem CID:	135033186
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	292.149471
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	5.2
IP(EA), eV:	-9.87(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,8aR)-3,8,8a-trimethyl-6-trimethylsilyloxy-5,6-dihydro-4aH-naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1C[C@@H]2CC[C@@H]3[C@@]([C@]2(CC1=O)CC=O)(CCCC3(C)C)C

DOS

IR

Vibrations