Geometry & MOs

Info

ID:	382783
PubChem CID:	134974128
Reduced:	OC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	435.182101
ΔH_f, kcal/mol:	-21.1
Dipole, Da:	2.68
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]-2-phenylpyrazol-3-olate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3=C4C=C[C@H]5[C@H]4[C@@H]6C(=O)C=CC5O6

DOS

IR

Vibrations