Geometry & MOs

Info

ID:	373378
PubChem CID:	131314407
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	231.083019
ΔH_f, kcal/mol:	4.51
Dipole, Da:	4.49
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1SC=C2)C(CCC#N)O

DOS

IR

Vibrations