Geometry & MOs

Info

ID:	308145
PubChem CID:	125317142
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	288.022104
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	7.34
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-5-phenyl-4H-pyrazole

Drug info:

PubChemData

Smile

CCCN1CCC[C@@H]1C2=C[C@H](C(=O)N=C2)C

DOS

IR

Vibrations