Geometry & MOs

Info

ID:	57044
PubChem CID:	22395261
Reduced:	O3C19H23 (1)
Stoich.:	A3B19C23 (1)
Weight, g/mol:	231.242296
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	7.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.272117
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

DOS

IR

Vibrations