Geometry & MOs

Info

ID:	137111
PubChem CID:	52152829
Reduced:	N2O5C23H32 (1)
Stoich.:	A2B5C23D32 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	4.24
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-5-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@@H]1C2=C(C(=CC=C2)OC)OC)CCN3CCCCC3)O

DOS

IR

Vibrations