Geometry & MOs

Info

ID:	371608
PubChem CID:	131269092
Reduced:	F3N3C10H14 (1)
Stoich.:	A3B3C10D14 (1)
Weight, g/mol:	326.15902
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	3.13
IP(EA), eV:	-8.89(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4R)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]-1H-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=C(N2)C(F)(F)F)N

DOS

IR

Vibrations