Geometry & MOs

Info

ID:	31652
PubChem CID:	855982
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	8.27
Dipole, Da:	4.47
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC2=CC=CO2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations