Geometry & MOs

Info

ID:	16161
PubChem CID:	460359
Reduced:	FN8C28H53 (1)
Stoich.:	AB8C28D53 (1)
Weight, g/mol:	520.437722
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	4.95
IP(EA), eV:	-8.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-fluoro-3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCNC1)CC2=C(C(=CC=C2)CN3CCCNCCNCCCNCC3)F

DOS

IR

Vibrations