Geometry & MOs

Info

ID:	22084
PubChem CID:	595960
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	1.17
IP(EA), eV:	-9.4(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(OCCO2)CBr

DOS

IR

Vibrations