Geometry & MOs

Info

ID:	290726
PubChem CID:	109850183
Reduced:	O2N4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	533.14338
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	3.43
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCCCN1CCOCC1)NC2CC3(CCCC3)OC4=CC=CC=C24

DOS

IR

Vibrations