Geometry & MOs

Info

ID:	411645
PubChem CID:	135084477
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	5.48
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-penta-2,4-diynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CN=CCC1=CC=C(C=C1)OC)(CBr)Br

DOS

IR

Vibrations