Geometry & MOs

Info

ID:	264809
PubChem CID:	103492151
Reduced:	INO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	350.01274
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	1.87
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-3-[(6-methoxypyridin-2-yl)methylamino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNCC1CCCC2=CC=CC=C12)I

DOS

IR

Vibrations