Geometry & MOs

Info

ID:	336527
PubChem CID:	127255534
Reduced:	ClN2O2C12H25 (1)
Stoich.:	AB2C2D12E25 (1)
Weight, g/mol:	212.9609
ΔH_f, kcal/mol:	-170.64
Dipole, Da:	2.26
IP(EA), eV:	-9.55(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)OC(C)(C)C)N.Cl

DOS

IR

Vibrations