Geometry & MOs

Info

ID:	211728
PubChem CID:	81051123
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	409.87071
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	6.76
IP(EA), eV:	-9.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(5-bromo-2-fluorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NC(C2CC2)C(=O)O

DOS

IR

Vibrations