Geometry & MOs

Info

ID:	27632
PubChem CID:	822708
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	341.98652
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	4.67
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-4-propan-2-ylidenepyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)O3

DOS

IR

Vibrations