Geometry & MOs

Info

ID:	290605
PubChem CID:	109765322
Reduced:	ION6C22H33 (1)
Stoich.:	ABC6D22E33 (1)
Weight, g/mol:	556.14813
ΔH_f, kcal/mol:	6.22
Dipole, Da:	6.9
IP(EA), eV:	-9.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3-imidazol-1-yl-4-methylpiperidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCC1=CC(=CC=C1)C(=O)NC)N2CCC(C(C2)N3C=CN=C3)C.I

DOS

IR

Vibrations