Geometry & MOs

Info

ID:	252571
PubChem CID:	103112376
Reduced:	ClON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	7.73
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=C(C=CC(=C2)C)N=C1CCCl

DOS

IR

Vibrations