Geometry & MOs

Info

ID:	158856
PubChem CID:	57244094
Reduced:	OF2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	426.344415
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	2.71
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(5-carboxytetrazol-5-yl)-2-tetradecoxypropyl]-trimethylazanium

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=N3)F

DOS

IR

Vibrations