Geometry & MOs

Info

ID:	49075
PubChem CID:	11528682
Reduced:	OF2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-80.53
Dipole, Da:	8.03
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-methyl-7-(oxan-2-yloxy)hept-3-yn-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=C(C(=C2)F)C#N)F

DOS

IR

Vibrations