Geometry & MOs

Info

ID:	365506
PubChem CID:	127317933
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	5.63
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-[3-(cyclohexylamino)-3-oxopropyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3CCCOC3

DOS

IR

Vibrations