Geometry & MOs

Info

ID:	417007
PubChem CID:	135091083
Reduced:	ClFN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	1.33
IP(EA), eV:	-9.03(-0.42)
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]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations