Geometry & MOs

Info

ID:	38203
PubChem CID:	8027964
Reduced:	N2O5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	415.259683
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752253
Charge, e:	1

Chem-info

IUPAC name:

2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)O[C@H](C)C(=O)NCCC[NH+]3CCOCC3

DOS

IR

Vibrations