Geometry & MOs

Info

ID:	251548
PubChem CID:	103104804
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-133.75
Dipole, Da:	2.32
IP(EA), eV:	-9.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxybutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC(C)COC)C

DOS

IR

Vibrations