Geometry & MOs

Info

ID:	354965
PubChem CID:	127287826
Reduced:	O2N7C15H19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	1.81
Dipole, Da:	4.63
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[4-(oxolane-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C(=O)[C@H]4CCC(=O)N4

DOS

IR

Vibrations