Geometry & MOs

Info

ID:	38226
PubChem CID:	8028199
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	427.259683
ΔH_f, kcal/mol:	-152.79
Dipole, Da:	6.0
IP(EA), eV:	-9.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC[C@@H](C1=CC=CC=C1)O)OC2=CC3=C(C=C2)C=CC(=O)O3

DOS

IR

Vibrations