Geometry & MOs

Info

ID:	131371
PubChem CID:	51198296
Reduced:	SF2N3O3H15C18 (1)
Stoich.:	AB2C3D3E15F18 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	1.13
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC3=CC=CC=C3SC(F)F

DOS

IR

Vibrations