Geometry & MOs

Info

ID:	252526
PubChem CID:	103112024
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	5.75
IP(EA), eV:	-9.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCC2=CC=CC=C2)C(=O)OCCOC

DOS

IR

Vibrations