Geometry & MOs

Info

ID:	332747
PubChem CID:	127251057
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	3.87
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations