Geometry & MOs

Info

ID:	359406
PubChem CID:	127298541
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	1.87
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]-2-cyclopentylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations