Geometry & MOs

Info

ID:	430609
PubChem CID:	135170675
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-134.44
Dipole, Da:	5.21
IP(EA), eV:	-9.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-3-phenyl-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)C(C)C)C

DOS

IR

Vibrations