Geometry & MOs

Info

ID:	364069
PubChem CID:	127313742
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	339.03309
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	3.05
IP(EA), eV:	-9.26(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2CCCCC2C(=O)N3CCCC3

DOS

IR

Vibrations