Geometry & MOs

Info

ID:	423463
PubChem CID:	135119540
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	320.164854
ΔH_f, kcal/mol:	-152.19
Dipole, Da:	2.65
IP(EA), eV:	-9.12(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CC2=CC=C(C=C2)O)C3CC3

DOS

IR

Vibrations