Geometry & MOs

Info

ID:	196257
PubChem CID:	78803025
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-28.06
Dipole, Da:	2.73
IP(EA), eV:	-8.93(-0.78)
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]oxy-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)N4CCOCC4)C

DOS

IR

Vibrations