Geometry & MOs

Info

ID:	305613
PubChem CID:	124962209
Reduced:	FON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	3.05
IP(EA), eV:	-8.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCC[C@@H](C2)C3=NC=C(O3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations