Geometry & MOs

Info

ID:	381620
PubChem CID:	134972412
Reduced:	PO5C11H18 (1)
Stoich.:	AB5C11D18 (1)
Weight, g/mol:	224.056133
ΔH_f, kcal/mol:	-200.52
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763240
Charge, e:	0

Chem-info

IUPAC name:

7-(trifluoromethyl)-5H-imidazo[2,1-a]isoindole

Drug info:

PubChemData

Smile

CC(C)(COC)CO[P+](=O)C(C1=CC=CO1)O

DOS

IR

Vibrations