Geometry & MOs

Info

ID:	332954
PubChem CID:	127251378
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	7.83
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCN3C(=CC(=NC3=O)C)C)C4=CN(N=C4)C

DOS

IR

Vibrations