Geometry & MOs

Info

ID:	376369
PubChem CID:	134222381
Reduced:	O3F7H21C22 (1)
Stoich.:	A3B7C21D22 (1)
Weight, g/mol:	554.124053
ΔH_f, kcal/mol:	-441.11
Dipole, Da:	6.77
IP(EA), eV:	-9.63(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations