Geometry & MOs

Info

ID:	371619
PubChem CID:	131269103
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	1.16
IP(EA), eV:	-10.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bromomethyl)-5-propanoylbenzoate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)C(=O)OC)CBr

DOS

IR

Vibrations