Geometry & MOs

Info

ID:	80914
PubChem CID:	49853879
Reduced:	ClSO3N4C28H33 (1)
Stoich.:	ABC3D4E28F33 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	5.42
IP(EA), eV:	-8.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)OCN1C(=O)CC2=CC(=C(C=C21)Cl)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations