Geometry & MOs

Info

ID:	201908
PubChem CID:	79603700
Reduced:	BrOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	1.59
IP(EA), eV:	-9.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(ethylamino)ethyl]-5-(1-oxo-1,4-thiazinan-4-yl)phenol

Drug info:

PubChemData

Smile

C1COCCC1CC=CCCBr

DOS

IR

Vibrations