Geometry & MOs

Info

ID:	332791
PubChem CID:	127251215
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.47
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC(=CC=C4)OC

DOS

IR

Vibrations