Geometry & MOs

Info

ID:	250524
PubChem CID:	103097286
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	35.86
Dipole, Da:	2.52
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations