Geometry & MOs

Info

ID:	414967
PubChem CID:	135087947
Reduced:	N3O6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-168.28
Dipole, Da:	5.91
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-[(1-ethylindol-4-yl)methyl]-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)NCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations