Geometry & MOs

Info

ID:	294854
PubChem CID:	117500389
Reduced:	BrO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	314.01537
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	6.11
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C(=O)C(=O)O)Br)OCCCO2

DOS

IR

Vibrations