Geometry & MOs

Info

ID:	402560
PubChem CID:	135056388
Reduced:	N2O3C17H19 (2)
Stoich.:	A2B3C17D19 (2)
Weight, g/mol:	189.055656
ΔH_f, kcal/mol:	16.85
Dipole, Da:	15.73
IP(EA), eV:	-5.94(-3.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-1-ium-2-carboxylic acid;chloride

Drug info:

PubChemData

Smile

CCC\1=C(C/2=N/C1=C\C3C(C(=C(N3)/C(=C\4/[C@H]([C@@H](/C(=C/C5=N/C(=C2)/C(=C5C)C=C)/N4)C)CCC(=O)O)/CC(=O)O)C(=O)O)C)C

DOS

IR

Vibrations