Geometry & MOs

Info

ID:	168901
PubChem CID:	75040240
Reduced:	ON8C21H24 (1)
Stoich.:	AB8C21D24 (1)
Weight, g/mol:	314.00548
ΔH_f, kcal/mol:	48.41
Dipole, Da:	6.45
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methyl]-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C4=NC=CC=N4)C(=O)N

DOS

IR

Vibrations