Geometry & MOs

Info

ID:	420021
PubChem CID:	135110804
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	2.43
IP(EA), eV:	-9.19(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations