Geometry & MOs

Info

ID:	16160
PubChem CID:	460358
Reduced:	Cl2N4C14H25 (2)
Stoich.:	A2B4C14D25 (2)
Weight, g/mol:	640.288304
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	5.48
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,3,4,6-tetrachloro-5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCNC1)CC2=C(C(=C(C(=C2Cl)Cl)Cl)CN3CCCNCCNCCCNCC3)Cl

DOS

IR

Vibrations