Geometry & MOs

Info

ID:	420703
PubChem CID:	135114683
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	25.85
Dipole, Da:	7.23
IP(EA), eV:	-8.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)CN2CCCN(CC2)C(=O)CCC3=CC=NN3C

DOS

IR

Vibrations