Geometry & MOs

Info

ID:	415584
PubChem CID:	135088580
Reduced:	N4O6C23H34 (1)
Stoich.:	A4B6C23D34 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-259.22
Dipole, Da:	9.3
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CO

DOS

IR

Vibrations