Geometry & MOs

Info

ID:	57058
PubChem CID:	22395280
Reduced:	OC9H15 (3)
Stoich.:	AB9C15 (3)
Weight, g/mol:	286.309647
ΔH_f, kcal/mol:	-181.32
Dipole, Da:	6.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993260
Charge, e:	0

Chem-info

IUPAC name:

1-N-[4-(4-aminobutylamino)butyl]octane-1,4-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)[O-])O

DOS

IR

Vibrations