Geometry & MOs

Info

ID:	376327
PubChem CID:	134222338
Reduced:	ON2F4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	460.102175
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	6.41
IP(EA), eV:	-9.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)OCF)F)F

DOS

IR

Vibrations