Geometry & MOs

Info

ID:	291187
PubChem CID:	111915672
Reduced:	ISO2F3N4C13H26 (1)
Stoich.:	ABC2D3E4F13G26 (1)
Weight, g/mol:	540.15974
ΔH_f, kcal/mol:	-249.02
Dipole, Da:	1.2
IP(EA), eV:	-9.57(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-[[3-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCCS(=O)(=O)C)NC1CCN(C1)CC(F)(F)F.I

DOS

IR

Vibrations