Geometry & MOs

Info

ID:	321844
PubChem CID:	126667069
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	342.99301
ΔH_f, kcal/mol:	2.39
Dipole, Da:	2.03
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodo-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C/C=C(\C=C/C=C)/C(=O)OOC(=O)/C(=C/C=C\C=C)/C=C

DOS

IR

Vibrations