Geometry & MOs

Info

ID:	197463
PubChem CID:	78968021
Reduced:	BrON4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	40.44
Dipole, Da:	4.96
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NNN=C2)Br

DOS

IR

Vibrations