Geometry & MOs

Info

ID:	306422
PubChem CID:	125011653
Reduced:	ClON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	18.04
Dipole, Da:	4.36
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@](N(C1)CC2=CC(=CC=C2)Cl)(C3=NC=CN=C3)C(=O)N

DOS

IR

Vibrations