Geometry & MOs

Info

ID:	51441
PubChem CID:	12014111
Reduced:	O3H20C23 (2)
Stoich.:	A3B20C23 (2)
Weight, g/mol:	368.362745
ΔH_f, kcal/mol:	45.21
Dipole, Da:	0.9
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,22R)-2,6,10,13,17,21-hexazabicyclo[20.4.0]hexacosane

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)/C=C/C=C/C=C/C2=CC=C(O2)C(C3=CC=C(O3)/C=C/C=C/C=C/C4=CC=CO4)C)C5=CC=C(O5)/C=C/C=C/C=C/C6=CC=CO6

DOS

IR

Vibrations