Geometry & MOs

Info

ID:	402468
PubChem CID:	135056091
Reduced:	NSO4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	5.21
Dipole, Da:	4.42
IP(EA), eV:	-8.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3aR,7aR)-3a-hydroxy-7a-methyl-1-oxo-3,4,6,7-tetrahydro-2H-inden-5-ylidene]pyrrolidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CSC1=C(C=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

DOS

IR

Vibrations