Geometry & MOs

Info

ID:	417028
PubChem CID:	135091121
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	5.91
IP(EA), eV:	-9.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(CC2)NC(=O)C3=NN4CC(CNC(=O)C4=C3)O

DOS

IR

Vibrations