Geometry & MOs

Info

ID:	445568
PubChem CID:	135268184
Reduced:	ON6C29H34 (1)
Stoich.:	AB6C29D34 (1)
Weight, g/mol:	426.196823
ΔH_f, kcal/mol:	84.09
Dipole, Da:	3.5
IP(EA), eV:	-8.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=C(C=C5)CN6CC(C6)O

DOS

IR

Vibrations