Geometry & MOs

Info

ID:	49012
PubChem CID:	11528613
Reduced:	NF3O4C6H8 (1)
Stoich.:	AB3C4D6E8 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-327.96
Dipole, Da:	3.71
IP(EA), eV:	-10.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylpropanoyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC(=O)C(CO)NC(=O)C(F)(F)F

DOS

IR

Vibrations