Geometry & MOs

Info

ID:	83801
PubChem CID:	49861467
Reduced:	ClON2C9H17 (2)
Stoich.:	ABC2D9E17 (2)
Weight, g/mol:	372.229204
ΔH_f, kcal/mol:	-142.83
Dipole, Da:	6.2
IP(EA), eV:	-9.5(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-4-(4-carbamimidoylcyclohexyl)oxybut-2-enoxy]cyclohexane-1-carboximidamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CCC1C(=N)N)OC/C=C/COC2CCC(CC2)C(=N)N.Cl.Cl

DOS

IR

Vibrations