Geometry & MOs

Info

ID:	358988
PubChem CID:	127296879
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	1.01
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)C(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations