Geometry & MOs

Info

ID:	418626
PubChem CID:	135106453
Reduced:	ON4C9H11 (2)
Stoich.:	AB4C9D11 (2)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	55.35
Dipole, Da:	3.7
IP(EA), eV:	-9.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-propylpyrimidin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C2CCCC2)NC(=O)COC3=CC=CC(=C3)N4C=NN=N4

DOS

IR

Vibrations