Geometry & MOs

Info

ID:	164940
PubChem CID:	74476492
Reduced:	ON6C28H34 (1)
Stoich.:	AB6C28D34 (1)
Weight, g/mol:	479.31345
ΔH_f, kcal/mol:	96.1
Dipole, Da:	9.13
IP(EA), eV:	-9.03(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-3H-quinolin-3-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CCC2=CC=CC=C2)N(CC3C=C4C=C(C=CC4=NC3=O)C)C5CCCC5

DOS

IR

Vibrations