Geometry & MOs

Info

ID:	356053
PubChem CID:	127291089
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	5.69
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2CCCOC2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations