Geometry & MOs

Info

ID:	180285
PubChem CID:	76608568
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	-10.8
Dipole, Da:	5.36
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(3-pyrazol-1-ylphenyl)morpholin-4-yl]-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)C1=CC=CC=C1)NC2NC(CC(=O)N2C)C3=NC=NC=C3

DOS

IR

Vibrations