Geometry & MOs

Info

ID:	132781
PubChem CID:	51420424
Reduced:	ON6C28H32 (1)
Stoich.:	AB6C28D32 (1)
Weight, g/mol:	437.266499
ΔH_f, kcal/mol:	44.77
Dipole, Da:	4.56
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-ethyl-3-[(R)-[(3S)-3-methylpiperidin-1-ium-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1[C@H](C3=CC4=C(C=C(C=C4NC3=O)C)C)C5=NN=NN5C6CCCCC6

DOS

IR

Vibrations