Geometry & MOs

Info

ID:	128380
PubChem CID:	51042082
Reduced:	FNOSC19H32 (1)
Stoich.:	ABCDE19F32 (1)
Weight, g/mol:	269.123821
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	3.86
IP(EA), eV:	-9.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-thiophen-2-ylhexanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(=O)C1=NC=CS1)F

DOS

IR

Vibrations