Geometry & MOs

Info

ID:	79822
PubChem CID:	49830602
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	359.02431
ΔH_f, kcal/mol:	71.12
Dipole, Da:	2.94
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCNC1=CC(=CC2=C1C(=NN2)N)C3=CC=NC=C3

DOS

IR

Vibrations