Geometry & MOs

Info

ID:	47674
PubChem CID:	10534693
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	132.035734
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	1.96
IP(EA), eV:	-9.41(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-sulfanylpyrazolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@H]1CN)CO

DOS

IR

Vibrations