Geometry & MOs

Info

ID:	314959
PubChem CID:	126624018
Reduced:	BrO2N3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	516.265794
ΔH_f, kcal/mol:	17.98
Dipole, Da:	3.85
IP(EA), eV:	-9.74(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-2-[2-[(2-methoxy-4,6-dimethylpyridin-3-yl)methylamino]ethyl]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=NN2CC(=O)O)C#N

DOS

IR

Vibrations