Geometry & MOs

Info

ID:	408487
PubChem CID:	135081253
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	229.134088
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	6.72
IP(EA), eV:	-10.38(1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1,3-dihydroinden-2-ylidene)-5,5-dimethylpyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]([C@H]1C(=O)O)[C@@H](C2)O)C

DOS

IR

Vibrations