Geometry & MOs

Info

ID:	73764
PubChem CID:	48420373
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	317.067952
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	8.68
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-(4-chlorophenyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)NCCC(=O)OCCN3C=NC=N3

DOS

IR

Vibrations