Geometry & MOs

Info

ID:	305965
PubChem CID:	124976354
Reduced:	FO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	410.211804
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	2.85
IP(EA), eV:	-9.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methyl-5-propylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@@]1(CCCCO1)C2=NC=C(C=N2)CNC(=O)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations