Geometry & MOs

Info

ID:	83803
PubChem CID:	49861475
Reduced:	ClNOC8H18 (1)
Stoich.:	ABCD8E18 (1)
Weight, g/mol:	382.305624
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	2.9
IP(EA), eV:	-9.53(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[5-(2-amino-4-carbamimidoylcyclohexyl)oxypentoxy]cyclohexane-1-carboximidamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CN)O.Cl

DOS

IR

Vibrations