Geometry & MOs

Info

ID:	305065
PubChem CID:	124766485
Reduced:	FNO6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	332.186183
ΔH_f, kcal/mol:	-258.53
Dipole, Da:	4.88
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O1)[C@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations