Geometry & MOs

Info

ID:	19414
PubChem CID:	563187
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	5.49
IP(EA), eV:	-9.38(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-ethoxy-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCOC1=CC(=O)N(C1)CC2=CC=CC=C2

DOS

IR

Vibrations