Geometry & MOs

Info

ID:	252530
PubChem CID:	103112033
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	282.078662
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	3.7
IP(EA), eV:	-9.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)NC2CC2)C(=O)OCCOC

DOS

IR

Vibrations