Geometry & MOs

Info

ID:	50260
PubChem CID:	12012776
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	5.33
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CN1)C2CC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations