Geometry & MOs

Info

ID:

164832

PubChem CID:

74460187

Reduced:

FON6C28H35 (1)

Stoich.:

ABC6D28E35 (1)

Weight, g/mol:

503.31345

ΔHf, kcal/mol:

-3.01

Dipole, Da:

4.82

IP(EA), eV:

 -9.38(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations