Geometry & MOs

Info

ID:	324038
PubChem CID:	126676801
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	259.99828
ΔH_f, kcal/mol:	-23.65
Dipole, Da:	3.09
IP(EA), eV:	-7.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-1-bromobut-2-en-2-yl]-N,4-dimethyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)N(/C=C(/CO)\N)N)NC(=O)C2=NOC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations