Geometry & MOs

Info

ID:	291365
PubChem CID:	112058951
Reduced:	IO3N4C17H37 (1)
Stoich.:	AB3C4D17E37 (1)
Weight, g/mol:	540.13459
ΔH_f, kcal/mol:	-190.15
Dipole, Da:	2.15
IP(EA), eV:	-9.19(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(CC)(CN=C(NCC)NCCCNC(=O)OC(C)(C)C)O.I

DOS

IR

Vibrations