Geometry & MOs

Info

ID:	244254
PubChem CID:	99319603
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	5.95
IP(EA), eV:	-9.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)NCCNC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations