Geometry & MOs

Info

ID:

164836

PubChem CID:

74460191

Reduced:

O3N6C29H36 (1)

Stoich.:

A3B6C29D36 (1)

Weight, g/mol:

488.254732

ΔHf, kcal/mol:

-20.31

Dipole, Da:

6.14

IP(EA), eV:

 -8.99(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[5-[[(4-fluorophenyl)methyl-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1CC(C2CC(C(=O)NC2C1)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5CC6=CC=CC=C6)C

DOS

IR

Vibrations