Geometry & MOs

Info

ID:	339090
PubChem CID:	127260347
Reduced:	NO2Cl3H10C17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	4.09
IP(EA), eV:	-9.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-chloro-2,5-dimethyl-3H-pyrazol-3-yl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2=C(C=CC3=CC(=C(N=C32)Cl)Cl)Cl

DOS

IR

Vibrations