Geometry & MOs

Info

ID:	439504
PubChem CID:	135229278
Reduced:	ON4C19H40 (1)
Stoich.:	AB4C19D40 (1)
Weight, g/mol:	388.356597
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	2.7
IP(EA), eV:	-8.17(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-4-[[4-[(2R)-2-(4-prop-2-ynylpiperazin-1-yl)propyl]cyclohexyl]methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(C)CCC(C)N2CCN(CC2)CCO

DOS

IR

Vibrations