Geometry & MOs

Info

ID:	419471
PubChem CID:	135108253
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-209.88
Dipole, Da:	8.2
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations