Geometry & MOs

Info

ID:	406067
PubChem CID:	135076445
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	251.118438
ΔH_f, kcal/mol:	55.7
Dipole, Da:	7.18
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z,5S)-1-benzylidene-5-phenylpyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

C1[C@H](/[N+](=C/C2=CC=CC=C2)/N=C1[O-])C3=CC=CC=C3

DOS

IR

Vibrations