Geometry & MOs

Info

ID:	311570
PubChem CID:	126593850
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	450.255025
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	3.25
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(cyclododecahexaenyl)-6-cyclododecyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1CC(O[C@@H]1CO)C2=CN=C3N2N=CN=C3N

DOS

IR

Vibrations