Geometry & MOs

Info

ID:	288157
PubChem CID:	104312192
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	322.9728
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	3.46
IP(EA), eV:	-9.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

Drug info:

PubChemData

Smile

CCC(=C)CC(C1=C(C=CC=N1)Br)O

DOS

IR

Vibrations