Geometry & MOs

Info

ID:	83800
PubChem CID:	49861456
Reduced:	ON3C18H33 (1)
Stoich.:	AB3C18D33 (1)
Weight, g/mol:	408.205882
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	3.92
IP(EA), eV:	-8.55(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-4-(4-carbamimidoylcyclohexyl)oxybut-2-enoxy]cyclohexane-1-carboximidamide;dihydrochloride

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1CCCC2C1NC3CCCCC3C2

DOS

IR

Vibrations