Geometry & MOs

Info

ID:	291382
PubChem CID:	112201266
Reduced:	IN3O3C20H40 (1)
Stoich.:	AB3C3D20E40 (1)
Weight, g/mol:	562.04404
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	5.64
IP(EA), eV:	-9.01(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[[2-[(3-bromophenyl)methyl]butylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=NC)NCCCOCC2CCOC2.I

DOS

IR

Vibrations