Geometry & MOs

Info

ID:	228684
PubChem CID:	87565537
Reduced:	SN3F6O6H22C26 (1)
Stoich.:	AB3C6D6E22F26 (1)
Weight, g/mol:	112.024833
ΔH_f, kcal/mol:	-447.76
Dipole, Da:	9.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.916966
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethylidenehydrazine

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(=O)N(C(=O)[N+]1(CC2=CC=NC3=CC=CC=C23)OC(=O)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations