Geometry & MOs

Info

ID:	25563
PubChem CID:	626456
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	493.978787
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	2.34
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,8,8-hexafluoro-7-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC2=CC=CC=C2)C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations