Geometry & MOs

Info

ID:	352919
PubChem CID:	127284009
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	3.68
IP(EA), eV:	-9.56(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations