Geometry & MOs

Info

ID:	398612
PubChem CID:	135034261
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	256.219101
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	5.83
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodec-1-ynyl-4-methylbenzene

Drug info:

PubChemData

Smile

C=CS(=NC(=O)OCC1=CC=CC=C1)(=O)C2=CC=CC=C2

DOS

IR

Vibrations