Geometry & MOs

Info

ID:	299014
PubChem CID:	117667559
Reduced:	ClS2N4F6O6C34H35 (1)
Stoich.:	AB2C4D6E6F34G35 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-508.9
Dipole, Da:	3.78
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@](CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CC4=C(C[C@@H]3CCC(=O)NS(=O)(=O)C)C=C(C=C4)Cl)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations