Geometry & MOs

Info

ID:	412918
PubChem CID:	135085855
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	214.027574
ΔH_f, kcal/mol:	52.89
Dipole, Da:	2.13
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(3R)-5-methylhex-1-yn-3-yl] sulfate

Drug info:

PubChemData

Smile

C/C(=N\OC)/C1=CC=CC(=C1)C2=CC=CC=N2

DOS

IR

Vibrations