Geometry & MOs

Info

ID:	349881
PubChem CID:	127276686
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-188.32
Dipole, Da:	9.98
IP(EA), eV:	-9.49(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations