Geometry & MOs

Info

ID:	306052
PubChem CID:	125001062
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-112.65
Dipole, Da:	4.56
IP(EA), eV:	-8.67(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CO[C@H]1CCCOC12CCN(CC2)CC3=CC=CC=C3OC

DOS

IR

Vibrations