Geometry & MOs

Info

ID:	320768
PubChem CID:	126663302
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	600.114711
ΔH_f, kcal/mol:	-123.38
Dipole, Da:	7.6
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[4-[1,1,2,2,3,3,4,4-octafluoro-4-[4-[(4-fluorophenyl)-hydroxymethyl]phenyl]butyl]phenyl]methanone

Drug info:

PubChemData

Smile

CCCCC1C(=C(COC1=O)C)/C=C\2/C3=NC4=C(C=C(C=C4)O)C(=C3CN2C=O)CC

DOS

IR

Vibrations