Geometry & MOs

Info

ID:	247058
PubChem CID:	103067062
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	243.08262
ΔH_f, kcal/mol:	25.44
Dipole, Da:	4.04
IP(EA), eV:	-9.53(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-fluorophenoxy)methyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CN)COC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2

DOS

IR

Vibrations