Geometry & MOs

Info

ID:	56026
PubChem CID:	17403846
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	1.88
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

DOS

IR

Vibrations