Geometry & MOs

Info

ID:	332958
PubChem CID:	127251382
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-9.39
Dipole, Da:	6.48
IP(EA), eV:	-8.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(=O)N(CC3=CC=CC=C3)C(C)C)C4=CN(N=C4)C

DOS

IR

Vibrations