Geometry & MOs

Info

ID:	302067
PubChem CID:	124349168
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	4.15
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NCCNC[C@H](COC2=CC=CC=C2)O

DOS

IR

Vibrations