Geometry & MOs

Info

ID:	332731
PubChem CID:	127251041
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-19.49
Dipole, Da:	3.11
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CN3CCOC(C3)C4=NC(=CN=C4)C5=CC(=CC=C5)OC)N(C1=O)C

DOS

IR

Vibrations