Geometry & MOs

Info

ID:	253335
PubChem CID:	103117803
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	38.0
Dipole, Da:	3.93
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CC#N)N(C)C(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations