Geometry & MOs

Info

ID:	355019
PubChem CID:	127287880
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	1.15
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)NC(=O)C2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations