Geometry & MOs

Info

ID:	226054
PubChem CID:	87299857
Reduced:	BNO2F4C6H16 (1)
Stoich.:	ABC2D4E6F16 (1)
Weight, g/mol:	258.230728
ΔH_f, kcal/mol:	-458.9
Dipole, Da:	14.01
IP(EA), eV:	-10.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diaminoheptyl heptanoate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.COCC[NH2+]CCOC

DOS

IR

Vibrations