Geometry & MOs

Info

ID:	232443
PubChem CID:	87576192
Reduced:	ClFON5H11C15 (1)
Stoich.:	ABCD5E11F15 (1)
Weight, g/mol:	320.140389
ΔH_f, kcal/mol:	55.55
Dipole, Da:	6.26
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-chloro-2-cyclopentyl-9-methyl-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-8-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=NC=C(N2)C3=CN/C(=C(/N)\N=O)/C=C3)F

DOS

IR

Vibrations