Geometry & MOs

Info

ID:	324339
PubChem CID:	126677467
Reduced:	FN6H15C21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	114.59
Dipole, Da:	1.78
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C5C=C(C=CC5=NC=C4)F

DOS

IR

Vibrations