Geometry & MOs

Info

ID:	339120
PubChem CID:	127260499
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	305.98916
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	7.17
IP(EA), eV:	-9.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-hydroxyphenyl)methyl benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=C2)C=O

DOS

IR

Vibrations