Geometry & MOs

Info

ID:	45857
PubChem CID:	10518263
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	300.03347
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	4.47
IP(EA), eV:	-9.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-methyl-2-propan-2-ylpyrazolidin-2-ium-1-carbaldehyde;iodide

Drug info:

PubChemData

Smile

COC1(CCCN(C1)S(=O)(=O)CC2=CC=CC=C2)OC

DOS

IR

Vibrations