Geometry & MOs

Info

ID:	233345
PubChem CID:	89850281
Reduced:	OF2C14H23 (2)
Stoich.:	AB2C14D23 (2)
Weight, g/mol:	494.180425
ΔH_f, kcal/mol:	-400.73
Dipole, Da:	1.09
IP(EA), eV:	-10.07(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-(4-pentylcyclohexyl)methoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]pyrimidine

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)OC(C2=CCC(CC2)OC(C3CCC(CC3)CCC)(F)F)(F)F

DOS

IR

Vibrations