Geometry & MOs

Info

ID:	252590
PubChem CID:	103112512
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	265.103811
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	4.24
IP(EA), eV:	-10.21(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-(2,2,2-trifluoroethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCC(C)(C)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations