Geometry & MOs

Info

ID:	383684
PubChem CID:	134975546
Reduced:	O3H5C7 (1)
Stoich.:	A3B5C7 (1)
Weight, g/mol:	232.05699
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765805
Charge, e:	0

Chem-info

IUPAC name:

1-deuterio-1H-indolizin-4-ium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)OC(=[OH+])O2

DOS

IR

Vibrations