Geometry & MOs

Info

ID:	345639
PubChem CID:	127269939
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	3.49
IP(EA), eV:	-9.35(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(1,4-dioxan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2CNC(=O)NCC3COCCO3

DOS

IR

Vibrations