Geometry & MOs

Info

ID:	294712
PubChem CID:	117484818
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	4.6
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-bromo-4-hydroxy-5-methoxyphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)CC1=C2C(=CC(=C1O)Br)OCCCO2

DOS

IR

Vibrations