Geometry & MOs

Info

ID:	83808
PubChem CID:	49861527
Reduced:	ClN2O2C12H21 (2)
Stoich.:	AB2C2D12E21 (2)
Weight, g/mol:	520.258311
ΔH_f, kcal/mol:	-219.51
Dipole, Da:	6.12
IP(EA), eV:	-8.96(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxycyclohexyl]oxybut-2-enoxy]-3-methoxycyclohexyl]-4,5-dihydro-1H-imidazole;dihydrochloride

Drug info:

PubChemData

Smile

COC1CC(CCC1OC/C=C\COC2CCC(CC2OC)C3=NCCN3)C4=NCCN4.Cl.Cl

DOS

IR

Vibrations