Geometry & MOs

Info

ID:	155106
PubChem CID:	56320693
Reduced:	FO3N6C25H35 (1)
Stoich.:	AB3C6D25E35 (1)
Weight, g/mol:	465.254003
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	7.94
IP(EA), eV:	-8.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)NC(C)C3=C(C=CC(=C3)F)N4CCN(CC4)C

DOS

IR

Vibrations