Geometry & MOs

Info

ID:	263978
PubChem CID:	103412028
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	1.53
IP(EA), eV:	-8.94(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-[3-(2-methoxyethoxy)propyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1(CN(C1)CCCOCCOC)O

DOS

IR

Vibrations