Geometry & MOs

Info

ID:	205603
PubChem CID:	80125079
Reduced:	BrOF2N3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	418.9155
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	1.81
IP(EA), eV:	-8.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(2-bromophenyl)ethyl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2)C(=C1)NC(=O)C3=C(C=C(C=C3F)Br)F

DOS

IR

Vibrations