Geometry & MOs

Info

ID:	315470
PubChem CID:	126626895
Reduced:	FO5C34H37 (1)
Stoich.:	AB5C34D37 (1)
Weight, g/mol:	259.237211
ΔH_f, kcal/mol:	-208.7
Dipole, Da:	5.5
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[amino(3-aminopropyl)amino]butylamino]propyl]-N-methylformamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@@H]1C2=CC=C(C=C2)O[C@@H]3CCC4=C(C=CC(=C34)F)C5=C(C=C(C=C5C)OCC6CCOC6)C

DOS

IR

Vibrations