Geometry & MOs

Info

ID:	277460
PubChem CID:	103828721
Reduced:	F2N2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	269.072431
ΔH_f, kcal/mol:	-140.53
Dipole, Da:	9.69
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)CO

DOS

IR

Vibrations