Geometry & MOs

Info

ID:	328144
PubChem CID:	126692248
Reduced:	N5O5F6H31C34 (1)
Stoich.:	A5B5C6D31E34 (1)
Weight, g/mol:	219.11201
ΔH_f, kcal/mol:	-387.44
Dipole, Da:	8.62
IP(EA), eV:	-8.38(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-7-(oxan-4-yl)-6H-pyrazolo[3,4-d]triazine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C/C(=C\5/C(=C(N(N5)C)C(=O)OC)C)/C=CC4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations