Geometry & MOs

Info

ID:	291109
PubChem CID:	111677898
Reduced:	F2O2N3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	478.1241
ΔH_f, kcal/mol:	-112.6
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC(=C(C=C1)OC)F)OC2=CC=C(C=C2)F

DOS

IR

Vibrations