Geometry & MOs

Info

ID:	374556
PubChem CID:	131331496
Reduced:	N3C4H4 (2)
Stoich.:	A3B4C4 (2)
Weight, g/mol:	188.004434
ΔH_f, kcal/mol:	130.54
Dipole, Da:	5.78
IP(EA), eV:	-10.07(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-benzothiazole-7-carbonyl cyanide

Drug info:

PubChemData

Smile

C1=CN2C(=NN=N2)C(=C1)CC(C#N)N

DOS

IR

Vibrations