Geometry & MOs

Info

ID:	250541
PubChem CID:	103097366
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	249.129969
ΔH_f, kcal/mol:	34.96
Dipole, Da:	3.61
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-amino-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(S1)C(C)(C)C#N

DOS

IR

Vibrations