Geometry & MOs

Info

ID:	346364
PubChem CID:	127270868
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	327.144373
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	5.41
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,3-oxazol-4-yl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC(=O)N3CCCC3)NN=C2

DOS

IR

Vibrations