Geometry & MOs

Info

ID:	305163
PubChem CID:	124766849
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	346.238219
ΔH_f, kcal/mol:	44.15
Dipole, Da:	1.97
IP(EA), eV:	-10.17(-0.87)
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-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CC1([C@@H]([C@@H](N[C@H]([C@H]1[N+](=O)[O-])C2=CN=CC=C2)C3=CN=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations