Geometry & MOs

Info

ID:	283327
PubChem CID:	103975032
Reduced:	BrO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	354.97748
ΔH_f, kcal/mol:	-153.1
Dipole, Da:	3.29
IP(EA), eV:	-9.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-[2-(4-fluorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1CCC1)(C2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations