Geometry & MOs

Info

ID:	181442
PubChem CID:	76747715
Reduced:	BrWO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	249.36
Dipole, Da:	14.96
IP(EA), eV:	-5.97(-3.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-hydroxybut-3-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC=C[O-].[CH2-]CC1=CC=C(C=C1)Br.[W+2]

DOS

IR

Vibrations