Geometry & MOs

Info

ID:	339121
PubChem CID:	127260500
Reduced:	BrO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	3.73
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-methylphenyl)methyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations