Geometry & MOs

Info

ID:	71188
PubChem CID:	48414424
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	1.55
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations