Geometry & MOs

Info

ID:	306098
PubChem CID:	125001638
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	6.87
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]-4-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperazin-2-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(C(=O)[C@H]1CC2=CC(=CC=C2)C3=CN=CC=C3)CC=C)N4CCCC4

DOS

IR

Vibrations