Geometry & MOs

Info

ID:	269305
PubChem CID:	103616910
Reduced:	F2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	267.028932
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	5.93
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCCCC1CCN2C=NC3=CC(=C(C=C32)F)F

DOS

IR

Vibrations