Geometry & MOs

Info

ID:	28667
PubChem CID:	828849
Reduced:	OSN5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	317.972961
ΔH_f, kcal/mol:	58.02
Dipole, Da:	2.17
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1C=NNC(=O)CC2=CSC(=N2)N

DOS

IR

Vibrations