Geometry & MOs

Info

ID:	251655
PubChem CID:	103105703
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	5.3
IP(EA), eV:	-10.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NOC(=N2)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations