Geometry & MOs

Info

ID:	172109
PubChem CID:	75468228
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	449.04793
ΔH_f, kcal/mol:	19.86
Dipole, Da:	2.48
IP(EA), eV:	-8.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(=O)C2=CC3=CC=CC=C3C=C2N

DOS

IR

Vibrations