Geometry & MOs

Info

ID:	252592
PubChem CID:	103112519
Reduced:	N3O4C12H23 (1)
Stoich.:	A3B4C12D23 (1)
Weight, g/mol:	311.091532
ΔH_f, kcal/mol:	-195.38
Dipole, Da:	6.58
IP(EA), eV:	-9.71(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC(=O)O)C(=O)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations