Geometry & MOs

Info

ID:	135563
PubChem CID:	51893898
Reduced:	BrFOSN6H20C21 (1)
Stoich.:	ABCDE6F20G21 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	40.87
Dipole, Da:	3.74
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C2C3NN=C(N3C=CN2NC1C4=CC=C(C=C4)F)SCC(=O)NC5=CC=C(C=C5)Br

DOS

IR

Vibrations