Geometry & MOs

Info

ID:	445570
PubChem CID:	135268194
Reduced:	FN5C25H28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	439.273596
ΔH_f, kcal/mol:	33.18
Dipole, Da:	3.25
IP(EA), eV:	-8.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)-1,2-dihydrophthalazine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=C3CCCC4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations