Geometry & MOs

Info

ID:	128381
PubChem CID:	51042083
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	284.159872
ΔH_f, kcal/mol:	57.5
Dipole, Da:	3.07
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(CC1=CC=CC=C1)(C#N)C2=CC=CS2

DOS

IR

Vibrations