Geometry & MOs

Info

ID:	164896
PubChem CID:	74467805
Reduced:	ON6C29H38 (1)
Stoich.:	AB6C29D38 (1)
Weight, g/mol:	501.334185
ΔH_f, kcal/mol:	37.53
Dipole, Da:	6.65
IP(EA), eV:	-9.25(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl-(2-phenylethyl)-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1)CN(CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

DOS

IR

Vibrations