Geometry & MOs

Info

ID:	120661
PubChem CID:	50739392
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	56.14
Dipole, Da:	4.18
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC(=N4)C)C=C3)O

DOS

IR

Vibrations