Geometry & MOs

Info

ID:	399925
PubChem CID:	135043872
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	348.97165
ΔH_f, kcal/mol:	25.6
Dipole, Da:	2.14
IP(EA), eV:	-9.76(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-bromo-4-nitrophenyl)-2-chloroacetate

Drug info:

PubChemData

Smile

C#C[C@@H](C1=CC(=CC=C1)[C@@H](C#C)O)O

DOS

IR

Vibrations