Geometry & MOs

Info

ID:	445575
PubChem CID:	135268289
Reduced:	N5C26H29 (1)
Stoich.:	A5B26C29 (1)
Weight, g/mol:	440.176087
ΔH_f, kcal/mol:	105.52
Dipole, Da:	3.45
IP(EA), eV:	-8.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-[(4-fluorophenyl)methyl]-7-oxo-3H-phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN(CCNC1=CC=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4

DOS

IR

Vibrations