Geometry & MOs

Info

ID:	369686
PubChem CID:	127335018
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	3.01
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations