Geometry & MOs

Info

ID:	252517
PubChem CID:	103111922
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	271.153206
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	4.25
IP(EA), eV:	-9.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-(2-hydroxy-2-methylbutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CN2C(=C(N=N2)C(=O)OCCOC)C)C

DOS

IR

Vibrations