Geometry & MOs

Info

ID:	315044
PubChem CID:	126624267
Reduced:	O11C12H22 (1)
Stoich.:	A11B12C22 (1)
Weight, g/mol:	447.448541
ΔH_f, kcal/mol:	-497.14
Dipole, Da:	2.9
IP(EA), eV:	-10.39(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[2-aminoethyl-[2-[2-aminoethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C(C1[C@@H](C(C(C(O1)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O

DOS

IR

Vibrations