Geometry & MOs

Info

ID:	270603
PubChem CID:	103637255
Reduced:	ClNO3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	262.072035
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	5.42
IP(EA), eV:	-8.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4-nitrophenol;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)CN[C@H](C)CO.Cl

DOS

IR

Vibrations