Geometry & MOs

Info

ID:	326886
PubChem CID:	126688561
Reduced:	F3N4O4H21C23 (1)
Stoich.:	A3B4C4D21E23 (1)
Weight, g/mol:	1069.170401
ΔH_f, kcal/mol:	-228.2
Dipole, Da:	5.67
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,7,10-tetrahexadecyl-1,4,7,10-tetrazacyclododecane

Drug info:

PubChemData

Smile

C1CN(C(=O)OC1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)[C@@H]5C[C@H]5CO

DOS

IR

Vibrations