Geometry & MOs

Info

ID:	419028
PubChem CID:	135107364
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	5.0
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=C(O3)CSC)C(=O)O

DOS

IR

Vibrations