Geometry & MOs

Info

ID:	250025
PubChem CID:	103093672
Reduced:	NSBr2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	278.041125
ΔH_f, kcal/mol:	27.41
Dipole, Da:	2.79
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)C(=CC1=CC(=C(S1)Br)Br)C

DOS

IR

Vibrations