Geometry & MOs

Info

ID:	337297
PubChem CID:	127256979
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	3.07
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-phenylpyrazolidin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)N2C(CC(=O)N2)C3=CC=CC=C3

DOS

IR

Vibrations