Geometry & MOs

Info

ID:	332947
PubChem CID:	127251371
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	410.152495
ΔH_f, kcal/mol:	19.63
Dipole, Da:	6.04
IP(EA), eV:	-8.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C(=CC4=CC=CC=C43)C)C5=CN=C(N=C5)N

DOS

IR

Vibrations