Geometry & MOs

Info

ID:	242256
PubChem CID:	96099392
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	343.139287
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	2.08
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@@H]2CCCN2C(=O)[C@@H](C)N3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations