Geometry & MOs

Info

ID:	46517
PubChem CID:	10524907
Reduced:	O3N4H18C23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	398.290643
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	2.03
IP(EA), eV:	-9.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,7,10-tris(2-cyanoethyl)-1,4,7,10-tetrazacyclotridec-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C/C(=N\N1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC=CC=C4

DOS

IR

Vibrations