Geometry & MOs

Info

ID:	417577
PubChem CID:	135102096
Reduced:	SN4O4C13H20 (1)
Stoich.:	AB4C4D13E20 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	5.48
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CN=C(C=C2)N

DOS

IR

Vibrations