Geometry & MOs

Info

ID:	293666
PubChem CID:	117395605
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-46.59
Dipole, Da:	1.68
IP(EA), eV:	-9.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[(1-hydroxycyclopropyl)methyl]-6-methylphenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1Br)CC2(CC2)O

DOS

IR

Vibrations