Geometry & MOs

Info

ID:	249740
PubChem CID:	103091713
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	2.86
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C\C1=CC(=C(C=C1)OC)Br)/C)N

DOS

IR

Vibrations