Geometry & MOs

Info

ID:	406490
PubChem CID:	135077810
Reduced:	NC21H23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	101.09
Dipole, Da:	1.3
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-4-methylpent-2-enyl]-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC=CC(C)N(CC#CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations