Geometry & MOs

Info

ID:	438659
PubChem CID:	135228408
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	180.093249
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	4.69
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-2-hydroxyethyl)sulfanyl-1-(methylamino)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)O)C(=O)N2CC3=CC=CC=C3C2

DOS

IR

Vibrations