Geometry & MOs

Info

ID:	290581
PubChem CID:	109756694
Reduced:	ClIO2N5C17H21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	21.41
Dipole, Da:	3.25
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=NC(=NO1)C2=CC(=CC=C2)Cl)NC3CC4CCC3O4.I

DOS

IR

Vibrations