Geometry & MOs

Info

ID:	71202
PubChem CID:	48414442
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	4.9
IP(EA), eV:	-8.93(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2CCCCC2

DOS

IR

Vibrations