Geometry & MOs

Info

ID:	277445
PubChem CID:	103828584
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	285.038354
ΔH_f, kcal/mol:	-171.09
Dipole, Da:	7.79
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

C1COCCC1(CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations