Geometry & MOs

Info

ID:	379411
PubChem CID:	134419361
Reduced:	O2N5C8H17 (1)
Stoich.:	A2B5C8D17 (1)
Weight, g/mol:	401.199357
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	2.04
IP(EA), eV:	-9.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-((18F)fluoranylmethyl)piperazin-1-yl]-2-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)C)OC(NC1=NNN=N1)O

DOS

IR

Vibrations