Geometry & MOs

Info

ID:	417670
PubChem CID:	135102440
Reduced:	NO2F3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-248.26
Dipole, Da:	4.17
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC(=CC=C3)OC(F)(F)F)O

DOS

IR

Vibrations