Geometry & MOs

Info

ID:	315180
PubChem CID:	126624802
Reduced:	PO2N6H19C25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	525.477047
ΔH_f, kcal/mol:	107.68
Dipole, Da:	7.19
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cyclooctyl-4-N,6-di(cycloundecyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)NC3=CC(=NC=C3)C#N)OC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations