Geometry & MOs

Info

ID:	291042
PubChem CID:	111677817
Reduced:	FIO2N4C20H26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	6.36
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)C(=O)N)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations