Geometry & MOs

Info

ID:	190734
PubChem CID:	78049749
Reduced:	N5O6C17H27 (1)
Stoich.:	A5B6C17D27 (1)
Weight, g/mol:	419.150601
ΔH_f, kcal/mol:	-222.44
Dipole, Da:	3.54
IP(EA), eV:	-9.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-d]pyrimidin-3-yl]-5,5-dimethyl-1,4a-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)C2CCC3CN2C(=O)N3O

DOS

IR

Vibrations