Geometry & MOs

Info

ID:	57051
PubChem CID:	22395269
Reduced:	O4C23H37 (1)
Stoich.:	A4B23C37 (1)
Weight, g/mol:	245.257946
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	6.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919652
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)[O-]

DOS

IR

Vibrations