Geometry & MOs

Info

ID:	290604
PubChem CID:	109765120
Reduced:	IO2N6C24H39 (1)
Stoich.:	AB2C6D24E39 (1)
Weight, g/mol:	524.17606
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	6.4
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[ethylamino-(3-imidazol-1-yl-4-methylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C1=CC(=C(C=C1)OC)OC)N(C)C)N2CCC(C(C2)N3C=CN=C3)C.I

DOS

IR

Vibrations