Geometry & MOs

Info

ID:	127102
PubChem CID:	50990645
Reduced:	NO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-78.38
Dipole, Da:	4.42
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C=N2)O

DOS

IR

Vibrations