Geometry & MOs

Info

ID:	392172
PubChem CID:	135013529
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	2.58
IP(EA), eV:	-9.26(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl]benzene-1,2,4-triol

Drug info:

PubChemData

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C[C@H]([C@H](C(=C)C)OCC1=CC=CC=C1)C(=O)N2[C@@H](COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations