Geometry & MOs

Info

ID:	172309
PubChem CID:	75495036
Reduced:	OCl2N5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	435.05898
ΔH_f, kcal/mol:	38.08
Dipole, Da:	2.07
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC(=NC)NC(C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations