Geometry & MOs

Info

ID:	338208
PubChem CID:	127258900
Reduced:	ClNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	240.982797
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	4.01
IP(EA), eV:	-9.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3,5-dichlorophenyl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[C@@H](CC(=O)O)N)Cl

DOS

IR

Vibrations