Geometry & MOs

Info

ID:	251662
PubChem CID:	103105769
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	5.05
IP(EA), eV:	-10.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CCOC(C)C)C(=O)OC

DOS

IR

Vibrations