Geometry & MOs

Info

ID:	392390
PubChem CID:	135015286
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-26.44
Dipole, Da:	4.12
IP(EA), eV:	-9.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-but-2-ynoyl-5,5-dimethylpyrazolidin-3-one

Drug info:

PubChemData

Smile

C1[C@@H](/C(=C/C2=CC=CC=C2)/CO1)C/C=C/C=O

DOS

IR

Vibrations