Geometry & MOs

Info

ID:	129460
PubChem CID:	51072664
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	4.14
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CC2=CSC(=N2)C

DOS

IR

Vibrations