Geometry & MOs

Info

ID:	262016
PubChem CID:	103266437
Reduced:	BrFNO3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	5.18
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-(2-propan-2-yloxyethylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OCCNC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations