Geometry & MOs

Info

ID:	291125
PubChem CID:	111677925
Reduced:	FIO2N4C22H30 (1)
Stoich.:	ABC2D4E22F30 (1)
Weight, g/mol:	400.227454
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	4.88
IP(EA), eV:	-8.75(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)CNC(=NC)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations