Geometry & MOs

Info

ID:	332721
PubChem CID:	127251031
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	3.14
IP(EA), eV:	-9.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations