Geometry & MOs

Info

ID:	252559
PubChem CID:	103112294
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	3.81
IP(EA), eV:	-10.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(2-acetamidoethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC(=O)NC)C(=O)OC(C)(C)C

DOS

IR

Vibrations