Geometry & MOs

Info

ID:	443321
PubChem CID:	135258561
Reduced:	N2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	231.041069
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	1.68
IP(EA), eV:	-10.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3Z)-3-[chloro(nitroso)methylidene]-2-ethyl-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(=O)OC)C=O

DOS

IR

Vibrations