Geometry & MOs

Info

ID:	128809
PubChem CID:	51058788
Reduced:	FCl2N2O2H9C16 (1)
Stoich.:	AB2C2D2E9F16 (1)
Weight, g/mol:	350.141913
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	2.2
IP(EA), eV:	-9.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7-triphenyl-3a,7a-dihydro-[1,3]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CC2=NC3=CC(=C(C=C3NC2=O)Cl)Cl)F

DOS

IR

Vibrations