Geometry & MOs

Info

ID:	385810
PubChem CID:	134980043
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	364.188998
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	2.62
IP(EA), eV:	-9.29(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8R,8aR)-6-methyl-8-trimethylsilyloxy-8a-(2-trimethylsilyloxyethynyl)-2,3,4,4a,5,8-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCC=C[C@H]1NC(=O)OC2=CC=CC=C2

DOS

IR

Vibrations