Geometry & MOs

Info

ID:	410546
PubChem CID:	135083345
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	197.066363
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	6.21
IP(EA), eV:	-10.68(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-oxido-4-(trifluoromethyl)-3,4-dihydropyrrol-1-ium-3-ol

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](C[C@H]1[C@H]2O)C(=O)O

DOS

IR

Vibrations