Geometry & MOs

Info

ID:	345628
PubChem CID:	127269928
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	1.94
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(oxan-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations