Geometry & MOs

Info

ID:	430653
PubChem CID:	135170719
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	2.97
IP(EA), eV:	-9.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-4-phenyl-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CCOC(=O)OC1C=C(C(=O)N1C)C2=CC=CC=C2

DOS

IR

Vibrations