Geometry & MOs

Info

ID:	45539
PubChem CID:	10514676
Reduced:	OF2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	4.83
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxyethoxy)-2-methyl-4-phenylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)C2=CC(=CC(=C2)F)F)N)N

DOS

IR

Vibrations