Geometry & MOs

Info

ID:	30047
PubChem CID:	839298
Reduced:	ON5H9C12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	112.95
Dipole, Da:	6.05
IP(EA), eV:	-9.71(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)N3C=CC(=O)C=C3

DOS

IR

Vibrations