Geometry & MOs

Info

ID:	291068
PubChem CID:	111677851
Reduced:	IF2O2N4C22H29 (1)
Stoich.:	AB2C2D4E22F29 (1)
Weight, g/mol:	418.218032
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	7.71
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(CC1=CC=C(C=C1)F)C(=O)N)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations