Geometry & MOs

Info

ID:	29388
PubChem CID:	833472
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	327.9302
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	5.82
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-chlorophenyl) 4-fluorobenzoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations