Geometry & MOs

Info

ID:	151608
PubChem CID:	55161636
Reduced:	SF3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	292.05751
ΔH_f, kcal/mol:	-274.65
Dipole, Da:	4.83
IP(EA), eV:	-10.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methylpentan-3-yl)phthalazine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)C(C)O

DOS

IR

Vibrations