Geometry & MOs

Info

ID:	372687
PubChem CID:	131302556
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	4.79
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-(1,3-oxazol-5-yl)-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C(=O)C2=C(N=CO2)C)N

DOS

IR

Vibrations