Geometry & MOs

Info

ID:	305126
PubChem CID:	124766558
Reduced:	ON2C14H26 (2)
Stoich.:	AB2C14D26 (2)
Weight, g/mol:	332.222569
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	14.67
IP(EA), eV:	-5.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CCC[N@@+](C1)(C)CCCCCC[N@@+]2(CCC=C(C2)C(=O)N(CC)CC)C

DOS

IR

Vibrations