Geometry & MOs

Info

ID:	180286
PubChem CID:	76608589
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	41.86
Dipole, Da:	5.28
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC(C3)C4=CC(=CC=C4)N5C=CC=N5

DOS

IR

Vibrations