Geometry & MOs

Info

ID:	291098
PubChem CID:	111677887
Reduced:	FIN3O3C17H27 (1)
Stoich.:	ABC3D3E17F27 (1)
Weight, g/mol:	339.19582
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	4.03
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCNC(=NC)NCC(C)OC1=CC=C(C=C1)F.I

DOS

IR

Vibrations