Geometry & MOs

Info

ID:	150508
PubChem CID:	53790201
Reduced:	SSiN2O6C37H42 (1)
Stoich.:	ABC2D6E37F42 (1)
Weight, g/mol:	200.023335
ΔH_f, kcal/mol:	-201.0
Dipole, Da:	5.4
IP(EA), eV:	-8.92(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoromethyl)-2,4-dinitrobenzene

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](N(C1=O)C(C(=C)C)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)SN4C(=O)C5=CC=CC=C5C4=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations