Geometry & MOs

Info

ID:	340528
PubChem CID:	127262539
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	6.76
Dipole, Da:	3.53
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)N)C#N)OC(=O)C2=CC=NN2

DOS

IR

Vibrations