Geometry & MOs

Info

ID:	296506
PubChem CID:	117580129
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	278.99286
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	5.13
IP(EA), eV:	-9.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-bromothiophen-2-yl)ethylamino]propane-1,3-diol

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)N=CN2)C(CO)CO

DOS

IR

Vibrations