Geometry & MOs

Info

ID:	394317
PubChem CID:	135022761
Reduced:	NF3O7C17H28 (1)
Stoich.:	AB3C7D17E28 (1)
Weight, g/mol:	316.227654
ΔH_f, kcal/mol:	-525.31
Dipole, Da:	7.47
IP(EA), eV:	-10.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4S,4aS,7S,7aR)-2,2,4,4a,7a-pentamethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-ium-7-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N([C@@H](CCC(C(F)(F)F)O)C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations