Geometry & MOs

Info

ID:	295655
PubChem CID:	117541543
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	-143.09
Dipole, Da:	6.81
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(N=C(O2)N)C(=O)O)OC

DOS

IR

Vibrations