Geometry & MOs

Info

ID:	373687
PubChem CID:	131318788
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	243.9306
ΔH_f, kcal/mol:	21.07
Dipole, Da:	3.08
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-bromo-1,3-thiazol-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2)O)C(=C1)[C@H](CC#N)N

DOS

IR

Vibrations