Geometry & MOs

Info

ID:	165472
PubChem CID:	74553632
Reduced:	FON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.09
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[2-oxo-3-(pyridin-2-ylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C(CC(C1C2=CC=CC=C2F)CNCC3=CC=CC=C3CN4C=CC=N4)CO

DOS

IR

Vibrations