Geometry & MOs

Info

ID:	132783
PubChem CID:	51420548
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	461.246513
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	4.58
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-ethyl-3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C[C@H]4CCCO4)N5CCC[C@@H](C5)C

DOS

IR

Vibrations