Geometry & MOs

Info

ID:	414074
PubChem CID:	135087028
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	285.08235
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	4.83
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylphenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CCCCC(=O)C1=C(C2=CC=CC=C2N1)Br

DOS

IR

Vibrations