Geometry & MOs

Info

ID:	71186
PubChem CID:	48414422
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	86.2
Dipole, Da:	3.4
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)CCC#C)C

DOS

IR

Vibrations