Geometry & MOs

Info

ID:	146718
PubChem CID:	53734132
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	318.259252
ΔH_f, kcal/mol:	51.97
Dipole, Da:	5.28
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propylsulfonylpentadecane

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C(\C#N)/[N+]#[C-])/C

DOS

IR

Vibrations