Geometry & MOs

Info

ID:	376296
PubChem CID:	134222306
Reduced:	O5F7H19C22 (1)
Stoich.:	A5B7C19D22 (1)
Weight, g/mol:	405.135192
ΔH_f, kcal/mol:	-507.2
Dipole, Da:	10.4
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine

Drug info:

PubChemData

Smile

CCCC12COC(OC1)(OC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations