Geometry & MOs

Info

ID:	164938
PubChem CID:	74475507
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	501.3917
ΔH_f, kcal/mol:	17.45
Dipole, Da:	8.21
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-cyclohexyltetrazol-5-yl)butyl-cyclopentyl-[(6-ethoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1C2CCCCC2)N(CC3C=C4C=CC(=CC4=NC3=O)OC)CC5=CC=CO5

DOS

IR

Vibrations