Geometry & MOs

Info

ID:	375198
PubChem CID:	131472833
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	1.87
IP(EA), eV:	-8.74(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(=C(C=C1)O)[C@H](CCO2)N

DOS

IR

Vibrations