Geometry & MOs

Info

ID:	393367
PubChem CID:	135020333
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	260.10823
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	4.51
IP(EA), eV:	-9.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S,8aS)-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2[C@H](COC2(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations