Geometry & MOs

Info

ID:	25683
PubChem CID:	628693
Reduced:	ON4H14C19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	374.209324
ΔH_f, kcal/mol:	81.16
Dipole, Da:	10.81
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-15,20-dioxo-19-oxapentacyclo[11.4.3.01,13.02,10.05,9]icosan-6-yl) acetate

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=C(C=C4)O)C#N

DOS

IR

Vibrations