Geometry & MOs

Info

ID:	332749
PubChem CID:	127251059
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	4.14
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F)CN(C)C

DOS

IR

Vibrations