Geometry & MOs

Info

ID:	361700
PubChem CID:	127304415
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	387.170668
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	3.99
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-4-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations