Geometry & MOs

Info

ID:	29389
PubChem CID:	833483
Reduced:	BrClFO2H7C13 (1)
Stoich.:	ABCD2E7F13 (1)
Weight, g/mol:	337.97092
ΔH_f, kcal/mol:	-80.5
Dipole, Da:	1.63
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-chlorophenyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Br)Cl)F

DOS

IR

Vibrations