Geometry & MOs

Info

ID:	399316
PubChem CID:	135039621
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	224.064886
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	2.9
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-hydroxy-1-phenylhex-4-yn-3-one

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C2=CC=CC=C2OC

DOS

IR

Vibrations