Geometry & MOs

Info

ID:	227131
PubChem CID:	87560308
Reduced:	ClF2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	3.04
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E)-N-(1-cyano-3-oxobutan-2-yl)benzenecarbohydrazonate

Drug info:

PubChemData

Smile

CN1CC(CN(C2=NC(=NC=C21)Cl)C3CCCC3)(F)F

DOS

IR

Vibrations