Geometry & MOs

Info

ID:	271857
PubChem CID:	103694353
Reduced:	BrClNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	271.02079
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.08
IP(EA), eV:	-9.66(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-(3-bromo-4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C1=C(C=CC(=C1)Br)Cl)N

DOS

IR

Vibrations