Geometry & MOs

Info

ID:	2221
PubChem CID:	6316
Reduced:	ClN2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	260.09277
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	5.7
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O.Cl

DOS

IR

Vibrations