Geometry & MOs

Info

ID:	415768
PubChem CID:	135088768
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	47.03
Dipole, Da:	2.63
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethyl-1-benzofuran-3-yl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=C(C=CC=N3)C#N

DOS

IR

Vibrations