Geometry & MOs

Info

ID:	23592
PubChem CID:	604759
Reduced:	ClN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	188.035255
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	4.06
IP(EA), eV:	-9.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC(=C1Cl)C

DOS

IR

Vibrations