Geometry & MOs

Info

ID:	306122
PubChem CID:	125001685
Reduced:	FON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	1.27
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1CC2=CC=CC=C2F)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations