Geometry & MOs

Info

ID:	328514
PubChem CID:	126724036
Reduced:	NOC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	249.002461
ΔH_f, kcal/mol:	37.63
Dipole, Da:	4.92
IP(EA), eV:	-10.54(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-2-(2,2,3,3,5-pentafluoropent-4-ynoxy)acetonitrile

Drug info:

PubChemData

Smile

C#CCCCOCC#N

DOS

IR

Vibrations