Geometry & MOs

Info

ID:	30857
PubChem CID:	842013
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	3.88
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2[C@@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O

DOS

IR

Vibrations