Geometry & MOs

Info

ID:	54794
PubChem CID:	17389288
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	474.050631
ΔH_f, kcal/mol:	37.08
Dipole, Da:	7.79
IP(EA), eV:	-8.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-28-oxa-14-oxoniahexacyclo[14.12.0.04,13.05,10.018,27.019,24]octacosa-1,3,5,7,9,11,13,16,18(27),19,21,23,25-tridecaen-15-one;perchlorate

Drug info:

PubChemData

Smile

CC\1=NC2=CC=CC=C2/C1=C\NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations