Geometry & MOs

Info

ID:	187866
PubChem CID:	77635693
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	262.027583
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	4.07
IP(EA), eV:	-8.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

CN1CCC2=C1C(=CC(=C2)C(CO)N)Cl

DOS

IR

Vibrations