Geometry & MOs

Info

ID:	416662
PubChem CID:	135089979
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-28.61
Dipole, Da:	9.6
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC(=CN=C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations