Geometry & MOs

Info

ID:	324828
PubChem CID:	126678420
Reduced:	FO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	5.37
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-N-(2-methoxypyridin-4-yl)-2-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CC(=NC=C4)F)OC

DOS

IR

Vibrations