Geometry & MOs

Info

ID:	13754
PubChem CID:	397734
Reduced:	N2O2F3H13C20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	370.092912
ΔH_f, kcal/mol:	-137.3
Dipole, Da:	3.51
IP(EA), eV:	-9.32(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-phenyl-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(N=C(C=C3C(F)(F)F)C4=CC=CC=C4)OC2=O

DOS

IR

Vibrations