Geometry & MOs

Info

ID:	418815
PubChem CID:	135106866
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	321.088019
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	2.32
IP(EA), eV:	-9.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloropyridin-4-yl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=CO3)NC(=O)C4(CC4)C

DOS

IR

Vibrations