Geometry & MOs

Info

ID:	39806
PubChem CID:	8142387
Reduced:	FN7C21H24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	294.076633
ΔH_f, kcal/mol:	73.49
Dipole, Da:	1.88
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)N/N=C\C2=CC=CC=C2F)NCC3=CC=CC=C3

DOS

IR

Vibrations