Geometry & MOs

Info

ID:	290991
PubChem CID:	111677757
Reduced:	FIO3N4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	3.98
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations