Geometry & MOs

Info

ID:	10483
PubChem CID:	102678
Reduced:	ClN5C13H29 (2)
Stoich.:	AB5C13D29 (2)
Weight, g/mol:	580.422297
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	3.29
IP(EA), eV:	-9.38(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride

Drug info:

PubChemData

Smile

CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl

DOS

IR

Vibrations