Geometry & MOs

Info

ID:	19691
PubChem CID:	570512
Reduced:	BrO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-phenylmethoxypropyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(COC(=O)C2=CC=CC=C2)CBr

DOS

IR

Vibrations