Geometry & MOs

Info

ID:	251568
PubChem CID:	103104943
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	4.76
IP(EA), eV:	-10.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxy-2,3-dimethylbutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(C)N1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations