Geometry & MOs

Info

ID:	355098
PubChem CID:	127288026
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	2.21
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(2-cyclohexylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CC(=C2)NC(=O)[C@H]3CCC(=O)N3)C=N1

DOS

IR

Vibrations