Geometry & MOs

Info

ID:	420221
PubChem CID:	135111915
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	2.69
IP(EA), eV:	-9.18(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1CCC[C@@]2(C1)CCC[C@H]2OC)C3=CC=CC=C3

DOS

IR

Vibrations