Geometry & MOs

Info

ID:	420863
PubChem CID:	135114940
Reduced:	FON2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-159.25
Dipole, Da:	1.97
IP(EA), eV:	-9.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-3-hydroxy-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=NN3C)C(F)F)CO

DOS

IR

Vibrations