Geometry & MOs

Info

ID:	342228
PubChem CID:	127265005
Reduced:	FNOH4C5 (3)
Stoich.:	ABCD4E5 (3)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-202.0
Dipole, Da:	10.78
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-2-oxoethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations