Geometry & MOs

Info

ID:	307520
PubChem CID:	125307326
Reduced:	N2Cl4H8C15 (1)
Stoich.:	A2B4C8D15 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	74.89
Dipole, Da:	1.53
IP(EA), eV:	-9.42(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(3R,4S)-2,3-dimethyl-3,4-dihydropyrazol-4-yl]-4H-pyrazol-3-yl]-1,5-dimethylpyrazole

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations