Geometry & MOs

Info

ID:	18876
PubChem CID:	550039
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	0.86
IP(EA), eV:	-9.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dihydropyrrol-1-yl)-3-phenylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1C=CCN1C(=O)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations