Geometry & MOs

Info

ID:	181784
PubChem CID:	76791813
Reduced:	ClFN2C26H38 (1)
Stoich.:	ABC2D26E38 (1)
Weight, g/mol:	426.31254
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	2.37
IP(EA), eV:	-8.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorocyclohexen-1-yl)-3,3-dimethylpiperidin-1-yl]-2-(2,5-diaminopentylamino)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(CN1CCC(C(C1)(C)C)C2=CCC(C=C2)Cl)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations