Geometry & MOs

Info

ID:	258158
PubChem CID:	103151508
Reduced:	BrN2O2F3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	314.080903
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	3.64
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-3-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CC(CCOCC(F)(F)F)NN

DOS

IR

Vibrations