Geometry & MOs

Info

ID:	191302
PubChem CID:	78127715
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	635.311912
ΔH_f, kcal/mol:	-146.28
Dipole, Da:	0.93
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[3-[(8-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)oxymethyl]benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1COC2=C(C1NC(=O)NC3=CC=CC4=C3CC(C4)O)C=CC(=C2)F

DOS

IR

Vibrations