Geometry & MOs

Info

ID:	369593
PubChem CID:	127334839
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	16.6
Dipole, Da:	3.01
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCC3=CC=CC=C23)CC4=NOC(=N4)C5CC5

DOS

IR

Vibrations