Geometry & MOs

Info

ID:	252585
PubChem CID:	103112478
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	4.6
IP(EA), eV:	-9.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[2-(2-methylpropylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC(=CC=C2)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations