Geometry & MOs

Info

ID:	373062
PubChem CID:	131309286
Reduced:	BrF2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	267.98474
ΔH_f, kcal/mol:	-186.35
Dipole, Da:	1.97
IP(EA), eV:	-9.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(4-bromo-3-cyanophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)[C@H](C(F)F)O)Br

DOS

IR

Vibrations