Geometry & MOs

Info

ID:	437302
PubChem CID:	135222222
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	2.31
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromo-5-oxohexoxy)methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCC(=O)CBr

DOS

IR

Vibrations