Geometry & MOs

Info

ID:	221031
PubChem CID:	85256505
Reduced:	OSC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	262.236876
ΔH_f, kcal/mol:	-17.88
Dipole, Da:	3.83
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-[(4-amino-2-hydroxybutyl)amino]butylamino]butan-2-ol

Drug info:

PubChemData

Smile

C1CCCC(C=CCC1)C(=O)SC2=CC=CC=C2

DOS

IR

Vibrations