Geometry & MOs

Info

ID:	336384
PubChem CID:	127255391
Reduced:	BrN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	230.133821
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	7.58
IP(EA), eV:	-9.49(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CN2C1=C(C=N2)C(=O)O)Br

DOS

IR

Vibrations