Geometry & MOs

Info

ID:	36982
PubChem CID:	8015729
Reduced:	NO5C23H36 (1)
Stoich.:	AB5C23D36 (1)
Weight, g/mol:	425.244033
ΔH_f, kcal/mol:	-210.0
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754698
Charge, e:	1

Chem-info

IUPAC name:

N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)C[C@@H]2[C@@H]3[C@@H](C[C@]4(CCC[C@@H]([C@]45[C@@H]3O5)C)C)OC2=O

DOS

IR

Vibrations