Geometry & MOs

Info

ID:	331428
PubChem CID:	127248835
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	1.94
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations