Geometry & MOs

Info

ID:	416730
PubChem CID:	135090183
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-67.14
Dipole, Da:	3.68
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(5-chloro-6-methylpyridin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=C(C=CC=C2OC)OC

DOS

IR

Vibrations