Geometry & MOs

Info

ID:	291032
PubChem CID:	111677807
Reduced:	FIO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	4.78
IP(EA), eV:	-8.76(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations