Geometry & MOs

Info

ID:	241069
PubChem CID:	93621534
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	16.54
Dipole, Da:	3.17
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-methylpropyl)-5-oxo-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations