Geometry & MOs

Info

ID:	182676
PubChem CID:	76922440
Reduced:	ClNC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	247.022248
ΔH_f, kcal/mol:	16.0
Dipole, Da:	2.25
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzothiophen-2-yl(chloro)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CCC(=C(C1=C(C=C(C=C1C)C)C)Cl)C#N

DOS

IR

Vibrations