Geometry & MOs

Info

ID:	371461
PubChem CID:	127346502
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	4.87
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=NC(=NC=C2)N3CCCC3

DOS

IR

Vibrations