Geometry & MOs

Info

ID:	38161
PubChem CID:	8027560
Reduced:	NO2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.109889
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(4-propan-2-yloxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)[C@@H](CO)[NH3+]

DOS

IR

Vibrations