Geometry & MOs

Info

ID:	161752
PubChem CID:	57392543
Reduced:	BrON3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	498.243104
ΔH_f, kcal/mol:	66.26
Dipole, Da:	5.46
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[3-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1C=C(C=CO1)C2=NC3=C4C=CC(=CC4=NC=C3N2)Br

DOS

IR

Vibrations