Geometry & MOs

Info

ID:	201377
PubChem CID:	79530228
Reduced:	SF3N3O3H6C11 (1)
Stoich.:	AB3C3D3E6F11 (1)
Weight, g/mol:	267.052302
ΔH_f, kcal/mol:	-195.47
Dipole, Da:	2.04
IP(EA), eV:	-9.87(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-nitroanilino)methyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=CSN=N2)C(=O)O

DOS

IR

Vibrations