Geometry & MOs

Info

ID:	433968
PubChem CID:	135174115
Reduced:	BrClON2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	165.08235
ΔH_f, kcal/mol:	6.8
Dipole, Da:	2.38
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(1-amino-2-methylpropoxy)-methylsulfanylmethanol

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=CC=C2OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations