Geometry & MOs

Info

ID:	14102
PubChem CID:	404449
Reduced:	N2O4H10C15 (1)
Stoich.:	A2B4C10D15 (1)
Weight, g/mol:	282.064057
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	6.44
IP(EA), eV:	-9.65(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-1-oxopyrido[2,1-b][1,3]benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C2N(C1=O)C3=CC=CC=C3O2)C#N

DOS

IR

Vibrations