Geometry & MOs

Info

ID:	251835
PubChem CID:	103107248
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	33.76
Dipole, Da:	3.24
IP(EA), eV:	-10.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(3-hydroxybutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NN=CN2C)C3CC3

DOS

IR

Vibrations