Geometry & MOs

Info

ID:	125565
PubChem CID:	50928454
Reduced:	BrO2N4H15C23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	448.11471
ΔH_f, kcal/mol:	93.21
Dipole, Da:	2.83
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=CC=C5Br

DOS

IR

Vibrations