Geometry & MOs

Info

ID:	381748
PubChem CID:	134972568
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	265.18037
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	4.45
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(1S,5S)-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=C2C3C4C=CC(C3C(=O)C2=C(C5=CC=CC=C51)OC)C4=O

DOS

IR

Vibrations