Geometry & MOs

Info

ID:	307694
PubChem CID:	125308158
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	4.13
IP(EA), eV:	-9.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-(4-phenoxyanilino)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@H]2CCC3=C(C2)CC(=O)N=N3

DOS

IR

Vibrations