Geometry & MOs

Info

ID:	291381
PubChem CID:	112193428
Reduced:	IO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	497.21144
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	3.92
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCCNC(=O)C1=C(C=CO1)C)N(C)CC2=CC=CC=C2C.I

DOS

IR

Vibrations