Geometry & MOs

Info

ID:	437921
PubChem CID:	135227316
Reduced:	F3N5H20C24 (1)
Stoich.:	A3B5C20D24 (1)
Weight, g/mol:	454.141674
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	4.08
IP(EA), eV:	-8.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3=C(N=C4N3C=C(N=C4)C5=CC(=CC=C5)C(F)(F)F)C(C)C

DOS

IR

Vibrations