Geometry & MOs

Info

ID:	437911
PubChem CID:	135227305
Reduced:	ON4F6H20C28 (1)
Stoich.:	AB4C6D20E28 (1)
Weight, g/mol:	490.12283
ΔH_f, kcal/mol:	-204.99
Dipole, Da:	7.27
IP(EA), eV:	-9.36(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,6-difluoro-4-phenylmethoxyphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CN=C(N=C2N1C3=C(C=C(C=C3F)OCC4=CC=CC=C4)F)C5=CC(=C(C=C5)F)C(F)(F)F

DOS

IR

Vibrations