Geometry & MOs

Info

ID:	423002
PubChem CID:	135118750
Reduced:	NO7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-242.35
Dipole, Da:	3.43
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations