Geometry & MOs

Info

ID:	332952
PubChem CID:	127251376
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	7.06
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[3-[2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]-3-oxopropyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C(=CC(=NC3=O)C)C)C4=CN(N=C4)C

DOS

IR

Vibrations