Geometry & MOs

Info

ID:	252639
PubChem CID:	103112882
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	3.98
IP(EA), eV:	-9.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(2-methoxyethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=CO2)C(=O)OCC(C)C

DOS

IR

Vibrations