Geometry & MOs

Info

ID:	373409
PubChem CID:	131314766
Reduced:	ISO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	5.23
IP(EA), eV:	-9.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1I)C(=CS2)CC(=O)O

DOS

IR

Vibrations