Geometry & MOs

Info

ID:	137113
PubChem CID:	52153087
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	3.97
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2[C@H](C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=NC=C4

DOS

IR

Vibrations