Geometry & MOs

Info

ID:	331710
PubChem CID:	127249793
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	4.29
IP(EA), eV:	-8.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[3-[2-[6-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CCN4CCCC5=CC=CC=C54

DOS

IR

Vibrations