Geometry & MOs

Info

ID:	339093
PubChem CID:	127260350
Reduced:	Cl3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	4.04
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-chloro-5-methyl-2-phenyl-3H-pyrazol-3-yl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC(COC2=CC=CC=C2Cl)C(Cl)Cl

DOS

IR

Vibrations