Geometry & MOs

Info

ID:

164911

PubChem CID:

74470357

Reduced:

O2N6C31H42 (1)

Stoich.:

A2B6C31D42 (1)

Weight, g/mol:

532.339999

ΔHf, kcal/mol:

1.3

Dipole, Da:

5.49

IP(EA), eV:

 -9.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2=CC=C(C=C2)OC)N(CC3CC4CC(C(CC4NC3=O)C)C)CC5=CC=CC=C5

DOS

IR

Vibrations