Geometry & MOs

Info

ID:	341961
PubChem CID:	127264654
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	4.25
IP(EA), eV:	-9.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(4-cyclopropyloxyphenyl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)[C@H](CCC2)N.Cl

DOS

IR

Vibrations