Geometry & MOs

Info

ID:	407921
PubChem CID:	135080676
Reduced:	NPC6O8H12 (1)
Stoich.:	ABC6D8E12 (1)
Weight, g/mol:	239.051776
ΔH_f, kcal/mol:	-312.34
Dipole, Da:	2.14
IP(EA), eV:	-10.16(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-1-(2,2,2-trifluoroethoxy)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)N)O)O)OP(=O)([O-])[O-]

DOS

IR

Vibrations