Geometry & MOs

Info

ID:	387955
PubChem CID:	134987513
Reduced:	IOC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-9.49
Dipole, Da:	2.97
IP(EA), eV:	-9.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-oct-1-ynyl-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C#CI)O

DOS

IR

Vibrations