Geometry & MOs

Info

ID:	331434
PubChem CID:	127248841
Reduced:	FO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	5.47
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]-5-pyrimidin-5-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3C=CC=NC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations