Geometry & MOs

Info

ID:	183665
PubChem CID:	77052591
Reduced:	BrOSN2C11H21 (1)
Stoich.:	ABCD2E11F21 (1)
Weight, g/mol:	337.05517
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	1.98
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(bromomethyl)-2-ethylbutyl]phthalazin-2-ium-1,4-dione

Drug info:

PubChemData

Smile

CCC(CC)(CSC1NCCC(=O)N1)CBr

DOS

IR

Vibrations