Geometry & MOs

Info

ID:	417207
PubChem CID:	135091699
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	307.072369
ΔH_f, kcal/mol:	-50.42
Dipole, Da:	6.65
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorofuran-2-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations