Geometry & MOs

Info

ID:	255168
PubChem CID:	103130492
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	5.47
IP(EA), eV:	-9.8(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCCCCCC2

DOS

IR

Vibrations