Geometry & MOs

Info

ID:	444437
PubChem CID:	135262437
Reduced:	ClFN6H12C17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	249.149557
ΔH_f, kcal/mol:	91.79
Dipole, Da:	3.46
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=NN3C=CC=C3C(=N2)NC4=CC(=NC=C4)Cl)F

DOS

IR

Vibrations