Geometry & MOs

Info

ID:	328137
PubChem CID:	126692201
Reduced:	N3O4H19C25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	10.19
IP(EA), eV:	-8.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]cyclobutyl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[C@@H](OC[C@@H]1O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O

DOS

IR

Vibrations