Geometry & MOs

Info

ID:	252574
PubChem CID:	103112411
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	7.0
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=NC2=CC=CC(=C21)C)CCl

DOS

IR

Vibrations