Geometry & MOs

Info

ID:	296507
PubChem CID:	117580207
Reduced:	BrNSO2C9H14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	0.79
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chloro-4-methoxyphenyl)ethylamino]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CCNC(CO)CO

DOS

IR

Vibrations