Geometry & MOs

Info

ID:	238017
PubChem CID:	92728815
Reduced:	O4N5C21H31 (1)
Stoich.:	A4B5C21D31 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-174.66
Dipole, Da:	7.36
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[4-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)C(=O)[C@H]3CC(=O)N(C3)C4CCCCC4

DOS

IR

Vibrations