Geometry & MOs

Info

ID:	164939
PubChem CID:	74475894
Reduced:	O2N6C28H49 (1)
Stoich.:	A2B6C28D49 (1)
Weight, g/mol:	470.27941
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767789
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1C2CCCCC2)[NH+](CC3CC4CC(CCC4NC3=O)OCC)C5CCCC5

DOS

IR

Vibrations