Geometry & MOs

Info

ID:	376399
PubChem CID:	134222411
Reduced:	O3F5C35H39 (1)
Stoich.:	A3B5C35D39 (1)
Weight, g/mol:	535.138226
ΔH_f, kcal/mol:	-354.63
Dipole, Da:	5.59
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine

Drug info:

PubChemData

Smile

CCCCC1CCC(OC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(OC5=CC(=C(C=C5)OCF)F)(F)F)F

DOS

IR

Vibrations