Geometry & MOs

Info

ID:	81050
PubChem CID:	49854290
Reduced:	ON3C20H37 (1)
Stoich.:	AB3C20D37 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	3.65
IP(EA), eV:	-8.14(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperazin-1-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CCN2CCN(CC2)C3CCCCC3

DOS

IR

Vibrations