Geometry & MOs

Info

ID:	374288
PubChem CID:	131326219
Reduced:	O2N5C7H7 (1)
Stoich.:	A2B5C7D7 (1)
Weight, g/mol:	296.92707
ΔH_f, kcal/mol:	22.74
Dipole, Da:	6.81
IP(EA), eV:	-9.51(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(difluoromethyl)-2-methylsulfanyl-3-nitrobenzene

Drug info:

PubChemData

Smile

COC(=O)C1=C2N=CC(=CN2N=N1)N

DOS

IR

Vibrations