Geometry & MOs

Info

ID:	412879
PubChem CID:	135085813
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	248.011924
ΔH_f, kcal/mol:	34.18
Dipole, Da:	3.92
IP(EA), eV:	-8.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(2S)-4-phenylbut-3-yn-2-yl] sulfate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N=[N+]=[N-])C2CCCCC2

DOS

IR

Vibrations