Geometry & MOs

Info

ID:	291070
PubChem CID:	111677853
Reduced:	FIO3N4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	442.238019
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	6.54
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=CC=C1)NC(=O)C2CCCO2)NCC(C)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations