Geometry & MOs

Info

ID:	30464
PubChem CID:	841369
Reduced:	Cl2N3O3H5C10 (1)
Stoich.:	A2B3C3D5E10 (1)
Weight, g/mol:	301.018495
ΔH_f, kcal/mol:	22.89
Dipole, Da:	3.79
IP(EA), eV:	-9.99(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N2C=C(C=N2)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations