Geometry & MOs

Info

ID:

314327

PubChem CID:

126621372

Reduced:

S2N5O7C49H49 (1)

Stoich.:

A2B5C7D49E49 (1)

Weight, g/mol:

258.278347

ΔHf, kcal/mol:

-91.34

Dipole, Da:

3.76

IP(EA), eV:

 -8.38(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-methylbutyl)-N'-[2-[2-(propan-2-ylamino)ethylamino]ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)NC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=C[C@@H]4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)S(=S)C

DOS

IR

Vibrations