Geometry & MOs

Info

ID:	358921
PubChem CID:	127296812
Reduced:	ON5C23H37 (1)
Stoich.:	AB5C23D37 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-43.31
Dipole, Da:	5.32
IP(EA), eV:	-8.36(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCCC(C2)CN3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations