Geometry & MOs

Info

ID:	143746
PubChem CID:	53253415
Reduced:	FO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	360.104084
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	1.87
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-butyl-4-chloro-5-fluoro-1,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10-pentaene-8,12-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations