Geometry & MOs

Info

ID:	332675
PubChem CID:	127250961
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	4.64
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations