Geometry & MOs

Info

ID:	30497
PubChem CID:	841416
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	328.012996
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	2.09
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations