Geometry & MOs

Info

ID:	251965
PubChem CID:	103108146
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-115.05
Dipole, Da:	5.9
IP(EA), eV:	-9.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-ethoxyethyl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCC(=O)NC)CC(C)C

DOS

IR

Vibrations