Geometry & MOs

Info

ID:	383588
PubChem CID:	134975386
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	548.29506
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	3.06
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-[3-(2-aminoethylamino)propylamino]ethyl]-3-N-[2-[3-[2-(3-bromoanilino)ethylamino]propylamino]ethyl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1CCC(=O)CC2(C3C4CC(C3C(=O)O1)C=C4)OCCO2

DOS

IR

Vibrations