Geometry & MOs

Info

ID:	352408
PubChem CID:	127283495
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	3.46
IP(EA), eV:	-9.53(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-(2-methylsulfanylpropanoyl)piperazin-2-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCNC(=O)C2(C)C

DOS

IR

Vibrations