Geometry & MOs

Info

ID:	385643
PubChem CID:	134979620
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	392.274672
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	2.67
IP(EA), eV:	-8.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7S,8S,8aR)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC(/C(=C\2/CCC3=CC=CC=C32)/C1)O

DOS

IR

Vibrations