Geometry & MOs

Info

ID:	321845
PubChem CID:	126667071
Reduced:	ION5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	374.97459
ΔH_f, kcal/mol:	67.41
Dipole, Da:	5.96
IP(EA), eV:	-10.05(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodo-1-phosphanylpyrazolo[3,4-d]pyrimidin-3-yl)-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C3C(=NN2)N=CN=C3I

DOS

IR

Vibrations