Geometry & MOs

Info

ID:	360294
PubChem CID:	127300937
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	7.21
IP(EA), eV:	-8.89(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CCC(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations