Geometry & MOs

Info

ID:	445569
PubChem CID:	135268193
Reduced:	FN6H23C25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	417.232874
ΔH_f, kcal/mol:	106.61
Dipole, Da:	5.71
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-4-[4-(5-methylpyridin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydrophthalazine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5CC=CC(=C5)F

DOS

IR

Vibrations