Geometry & MOs

Info

ID:	71462
PubChem CID:	48414916
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	59.75
Dipole, Da:	4.41
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations