Geometry & MOs

Info

ID:	340923
PubChem CID:	127263358
Reduced:	ClON2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	5.26
IP(EA), eV:	-10.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,4-dimethyl-3H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C=O.Cl

DOS

IR

Vibrations