Geometry & MOs

Info

ID:	226685
PubChem CID:	87556877
Reduced:	BrFNH5C8 (1)
Stoich.:	ABCD5E8 (1)
Weight, g/mol:	554.45464
ΔH_f, kcal/mol:	42.45
Dipole, Da:	2.8
IP(EA), eV:	-9.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(7,7-dimethyloctanoyloxy)propyl 7,7-dimethyloctanoate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)CC#CF

DOS

IR

Vibrations