Geometry & MOs

Info

ID:	422141
PubChem CID:	135117283
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	352.098998
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	7.48
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations