Geometry & MOs

Info

ID:	338505
PubChem CID:	127259197
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	29.47
Dipole, Da:	2.5
IP(EA), eV:	-8.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-aminooctylsulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)O/C(=N/NC1=CC=CC2=C1C(=CC=C2)N)/C#N

DOS

IR

Vibrations