Geometry & MOs

Info

ID:	196259
PubChem CID:	78803093
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	408.110151
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	4.25
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations