Geometry & MOs

Info

ID:	291028
PubChem CID:	111677803
Reduced:	FIN3O3C17H27 (1)
Stoich.:	ABC3D3E17F27 (1)
Weight, g/mol:	339.19582
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	3.55
IP(EA), eV:	-9.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCNC(=NCC(C)C(=O)OC)NCC(C)OC1=CC=C(C=C1)F.I

DOS

IR

Vibrations