Geometry & MOs

Info

ID:	418973
PubChem CID:	135107238
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	8.32
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations