Geometry & MOs

Info

ID:	177795
PubChem CID:	76231501
Reduced:	NO3F4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	432.02556
ΔH_f, kcal/mol:	-313.52
Dipole, Da:	3.94
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carbonyl]-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C=CC2=C(C=C(C=C2)OC(F)F)OC(F)F

DOS

IR

Vibrations