Geometry & MOs

Info

ID:	326866
PubChem CID:	126688446
Reduced:	F3N4O4H21C23 (1)
Stoich.:	A3B4C4D21E23 (1)
Weight, g/mol:	915.993499
ΔH_f, kcal/mol:	-219.81
Dipole, Da:	6.54
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,7,10,13-pentakis-decyl-1,4,7,10,13-pentazacyclopentadecane

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)CC5(COC5)F

DOS

IR

Vibrations