Geometry & MOs

Info

ID:	252987
PubChem CID:	103115325
Reduced:	O3N6C11H14 (1)
Stoich.:	A3B6C11D14 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	2.19
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-hydroxybutyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)N)C2=CN(N=C2)C

DOS

IR

Vibrations