Geometry & MOs

Info

ID:	187769
PubChem CID:	77621768
Reduced:	BrClO2N4C29H32 (1)
Stoich.:	ABC2D4E29F32 (1)
Weight, g/mol:	258.046299
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	6.13
IP(EA), eV:	-9.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-thiophen-2-yl-7H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=C(C=C4)Br)CCC(C5=CC=CC=C5)N.Cl

DOS

IR

Vibrations