Geometry & MOs

Info

ID:	298680
PubChem CID:	117653887
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	20.49
Dipole, Da:	6.35
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-4-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=CC(=N2)C(=N)N)C3CC3.Cl

DOS

IR

Vibrations