Geometry & MOs

Info

ID:	166535
PubChem CID:	74704646
Reduced:	O2N6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	523.339664
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	10.25
IP(EA), eV:	-9.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-benzylpiperidin-1-ium-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1CCC2CC(C(=O)NC2C1)C(C3=NN=NN3C4CCCCC4)N5CCC6=CC=CC=C6C5

DOS

IR

Vibrations