Geometry & MOs

Info

ID:	43653
PubChem CID:	10321596
Reduced:	BrO2F3N3H13C19 (1)
Stoich.:	AB2C3D3E13F19 (1)
Weight, g/mol:	452.043438
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	8.35
IP(EA), eV:	-9.25(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,4R)-1,2,2,3,3,4-hexafluoro-4-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC3=CC=NC=C3

DOS

IR

Vibrations