Geometry & MOs

Info

ID:	7170
PubChem CID:	71465
Reduced:	ClNO3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	275.128821
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	1.82
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C1=CC(=C(C=C1)O)O)O)NC(C)C.Cl

DOS

IR

Vibrations