Geometry & MOs

Info

ID:	355054
PubChem CID:	127287915
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	5.32
IP(EA), eV:	-9.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations