Geometry & MOs

Info

ID:	290579
PubChem CID:	109756661
Reduced:	OS2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	501.07923
ΔH_f, kcal/mol:	7.29
Dipole, Da:	4.42
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCCCSC1=NC=CS1)NC2CC3CCC2O3

DOS

IR

Vibrations