Geometry & MOs

Info

ID:	271816
PubChem CID:	103693078
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	276.95052
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	0.85
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(4-bromo-3-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C[C@H](C(=O)O)N

DOS

IR

Vibrations