Geometry & MOs

Info

ID:	270147
PubChem CID:	103630414
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	277.090328
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	3.21
IP(EA), eV:	-9.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)COCCCNC(=O)C1=CC=C(C=C1)/C(=N/O)/N

DOS

IR

Vibrations