Geometry & MOs

Info

ID:	444691
PubChem CID:	135263271
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	5.62
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(bromomethyl)phenyl]-5,5-dimethyl-1,4,2-dioxazole

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)/C=C(\C)/C=C/C(=O)O

DOS

IR

Vibrations