Geometry & MOs

Info

ID:	25140
PubChem CID:	619473
Reduced:	ClON3H4F6C9 (1)
Stoich.:	ABC3D4E6F9 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	-313.21
Dipole, Da:	3.2
IP(EA), eV:	-9.76(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=NC(NC(=O)N2C=C1Cl)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations