Geometry & MOs

Info

ID:	337211
PubChem CID:	127256776
Reduced:	NOH7C10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	33.16
Dipole, Da:	1.71
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(2,4-dipropoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=CC=CC=C4C=C3)/C(=O)N2

DOS

IR

Vibrations