Geometry & MOs

Info

ID:	295015
PubChem CID:	117511777
Reduced:	BrO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	330.04667
ΔH_f, kcal/mol:	-157.94
Dipole, Da:	2.45
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-3-tert-butyl-2-methoxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C=C(C=C1OC)Br)COC

DOS

IR

Vibrations