Geometry & MOs

Info

ID:	71207
PubChem CID:	48414451
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	407.177982
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	1.22
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations