Geometry & MOs

Info

ID:	244686
PubChem CID:	99376402
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	433.155018
ΔH_f, kcal/mol:	-63.69
Dipole, Da:	1.1
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluorophenyl)-3-methyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)/C=C/C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations