Geometry & MOs

Info

ID:	426284
PubChem CID:	135143179
Reduced:	O4N5C25H35 (1)
Stoich.:	A4B5C25D35 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	4.75
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene

Drug info:

PubChemData

Smile

COCCOCCOCCOCCC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3

DOS

IR

Vibrations