Geometry & MOs

Info

ID:	249950
PubChem CID:	103093072
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	250.009825
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	5.3
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichloro-1,3-thiazol-5-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C(=CC(=C1)Br)Br)OC)/C)NC

DOS

IR

Vibrations