Geometry & MOs

Info

ID:	416021
PubChem CID:	135089026
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	3.72
IP(EA), eV:	-9.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1NC(=O)CCCN2C=CC=N2)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations