Geometry & MOs

Info

ID:	387647
PubChem CID:	134986292
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	305.98916
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	2.08
IP(EA), eV:	-10.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-5-hydroxy-4-phenylbenzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/1\CCCC1=O

DOS

IR

Vibrations