Geometry & MOs

Info

ID:	371611
PubChem CID:	131269095
Reduced:	F3N3C10H14 (1)
Stoich.:	A3B3C10D14 (1)
Weight, g/mol:	312.14337
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	6.37
IP(EA), eV:	-9.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(CCCC2CN)N=C1C(F)(F)F

DOS

IR

Vibrations