Geometry & MOs

Info

ID:	23353
PubChem CID:	603184
Reduced:	BrO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	316.00989
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	3.06
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-enyl 2-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations