Geometry & MOs

Info

ID:	233346
PubChem CID:	89850282
Reduced:	N2O2F7C23H25 (1)
Stoich.:	A2B2C7D23E25 (1)
Weight, g/mol:	512.171003
ΔH_f, kcal/mol:	-400.14
Dipole, Da:	8.71
IP(EA), eV:	-9.85(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-butylcyclohexyl)-difluoromethoxy]-2-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]pyrimidine

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C(OC2=CN=C(N=C2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)(F)F

DOS

IR

Vibrations