Geometry & MOs

Info

ID:	305716
PubChem CID:	124966249
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	4.55
IP(EA), eV:	-9.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

C[C@]1(CCCN(C1)C(=O)C2=C(N=CC=C2)OC)C3=NC=C(O3)CC4=CC=CC=C4F

DOS

IR

Vibrations