Geometry & MOs

Info

ID:	133691
PubChem CID:	51575455
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	288.015149
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	6.16
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(2-chloroanilino)methylidene]-5-(trifluoromethyl)pyrazol-3-olate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2C(=O)[C@](NC2=O)(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations