Geometry & MOs

Info

ID:

164834

PubChem CID:

74460189

Reduced:

O2N6C29H38 (1)

Stoich.:

A2B6C29D38 (1)

Weight, g/mol:

517.292714

ΔHf, kcal/mol:

2.56

Dipole, Da:

6.82

IP(EA), eV:

 -8.93(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C2CC(C(=O)NC2C1)CN(CC3=CC=C(C=C3)OC)CC4=NN=NN4CC5=CC=CC=C5)C

DOS

IR

Vibrations