Geometry & MOs

Info

ID:	372288
PubChem CID:	131295548
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	292.94543
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	5.37
IP(EA), eV:	-10.24(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(4-bromo-3-chlorophenyl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1Cl)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations