Geometry & MOs

Info

ID:	332670
PubChem CID:	127250956
Reduced:	FO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	4.29
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations