Geometry & MOs

Info

ID:	264808
PubChem CID:	103492082
Reduced:	BrFINO2C11H12 (1)
Stoich.:	ABCDE2F11G12 (1)
Weight, g/mol:	373.05388
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	2.94
IP(EA), eV:	-9.26(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNCC1=C(C(=CC=C1)F)Br)I

DOS

IR

Vibrations