Geometry & MOs

Info

ID:	413934
PubChem CID:	135086885
Reduced:	NOH13C16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	309.919845
ΔH_f, kcal/mol:	73.3
Dipole, Da:	2.52
IP(EA), eV:	-8.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)C#CC5=CC=C(C=C5)OC

DOS

IR

Vibrations