Geometry & MOs

Info

ID:	290576
PubChem CID:	109756646
Reduced:	IO3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	508.17328
ΔH_f, kcal/mol:	-78.69
Dipole, Da:	3.0
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCCCN1C(=O)C2=CC=CC=C2C1=O)NC3CC4CCC3O4.I

DOS

IR

Vibrations