Geometry & MOs

Info

ID:	396923
PubChem CID:	135029462
Reduced:	ON3H19C24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	430.08653
ΔH_f, kcal/mol:	70.11
Dipole, Da:	10.13
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4'R,9'R,15'R)-15'-bromo-16'-ethylspiro[1,3-dioxolan-1-ium-2,13'-5,7-dioxa-16-azatetracyclo[7.5.3.01,10.04,9]heptadecane]-6',17'-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N3C4=C(C(=O)CCC4)C(=C(C3=N2)C#N)C5=CC=CC=C5

DOS

IR

Vibrations