Geometry & MOs

Info

ID:	140427
PubChem CID:	52695143
Reduced:	ClOSN3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	10.53
Dipole, Da:	3.41
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclohexyl-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC(=C2)CSC3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations