Geometry & MOs

Info

ID:	271861
PubChem CID:	103694357
Reduced:	BrClNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	290.96617
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	2.54
IP(EA), eV:	-9.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations