Geometry & MOs

Info

ID:	302564
PubChem CID:	124385086
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	2.11
IP(EA), eV:	-8.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyanilino)-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCCCN1CCC[C@@H]2[C@H]1CCC3=C2C=C(C=C3)O

DOS

IR

Vibrations