Geometry & MOs

Info

ID:	375364
PubChem CID:	131500100
Reduced:	BrN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	1.81
IP(EA), eV:	-10.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=C(C=C(C=N1)C(=O)O)Br)N)O

DOS

IR

Vibrations