Geometry & MOs

Info

ID:	161084
PubChem CID:	57390716
Reduced:	FO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	437.222703
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	5.28
IP(EA), eV:	-8.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=CC(=N2)N3CCCCCC3)NC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations