Geometry & MOs

Info

ID:	26406
PubChem CID:	646697
Reduced:	N2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	321.088019
ΔH_f, kcal/mol:	82.41
Dipole, Da:	3.01
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N

DOS

IR

Vibrations