Geometry & MOs

Info

ID:	271859
PubChem CID:	103694355
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	290.96617
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	2.69
IP(EA), eV:	-9.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-(4-bromo-2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](CC(=O)OC)N)Br

DOS

IR

Vibrations