Geometry & MOs

Info

ID:	434947
PubChem CID:	135176045
Reduced:	ClF2O2N3C29H36 (1)
Stoich.:	AB2C2D3E29F36 (1)
Weight, g/mol:	440.177917
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	3.78
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(7-chloro-4-piperidin-1-yl-1-piperidin-4-yl-2H-phthalazin-6-ylidene)-5-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CONC(C(=O)N2C3CCC2CC(C3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations