Geometry & MOs

Info

ID:	251582
PubChem CID:	103105062
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	7.03
Dipole, Da:	4.67
IP(EA), eV:	-10.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-pentyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC(=NO2)C3CC3)C

DOS

IR

Vibrations