Geometry & MOs

Info

ID:	16158
PubChem CID:	460352
Reduced:	NC4H7 (8)
Stoich.:	AB4C7 (8)
Weight, g/mol:	552.462794
ΔH_f, kcal/mol:	39.32
Dipole, Da:	3.37
IP(EA), eV:	-8.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)naphthalen-1-yl]methyl]-1,4,8,11-tetrazacyclotetradecane

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCNC1)CC2=CC=C(C3=CC=CC=C23)CN4CCCNCCNCCCNCC4

DOS

IR

Vibrations