Geometry & MOs

Info

ID:	345399
PubChem CID:	127269699
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	371.187878
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	1.55
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCN(CC2)C(=O)NC

DOS

IR

Vibrations