Geometry & MOs

Info

ID:	196254
PubChem CID:	78803022
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	4.7
IP(EA), eV:	-8.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C)C(=O)CCNC(=O)C2=CSC=C2

DOS

IR

Vibrations