Geometry & MOs

Info

ID:	30447
PubChem CID:	841347
Reduced:	N5O5C15H17 (1)
Stoich.:	A5B5C15D17 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	3.24
IP(EA), eV:	-8.33(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-ethylphenyl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=C(C=CC(=C2)OC)OC)C

DOS

IR

Vibrations