Geometry & MOs

Info

ID:	149006
PubChem CID:	53788677
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	208.007326
ΔH_f, kcal/mol:	-106.63
Dipole, Da:	6.3
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-1,3-dimethylpyrazole-4-sulfinate

Drug info:

PubChemData

Smile

CCCNC(=O)NC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)O

DOS

IR

Vibrations