Geometry & MOs

Info

ID:	385083
PubChem CID:	134978284
Reduced:	NNaC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	50.87
Dipole, Da:	15.11
IP(EA), eV:	-3.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-4-(1-hydroxy-1-phenylethyl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)CCC1CC[CH-]C1.[Na+]

DOS

IR

Vibrations