Geometry & MOs

Info

ID:

166538

PubChem CID:

74705388

Reduced:

O4N6C29H44 (1)

Stoich.:

A4B6C29D44 (1)

Weight, g/mol:

481.3291

ΔHf, kcal/mol:

-111.92

Dipole, Da:

9.87

IP(EA), eV:

 -8.14(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C2C1CC(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4CC5CCCO5)C

DOS

IR

Vibrations