Geometry & MOs

Info

ID:	123234
PubChem CID:	50838872
Reduced:	S2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	1.71
IP(EA), eV:	-9.32(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazolo[3,4-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations