Geometry & MOs

Info

ID:	196258
PubChem CID:	78803026
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	31.48
Dipole, Da:	3.79
IP(EA), eV:	-8.89(-1.16)
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-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=NC=NC3=C2C=NN3C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations