Geometry & MOs

Info

ID:	29116
PubChem CID:	831682
Reduced:	ClO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	336.098918
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	2.88
IP(EA), eV:	-8.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C(=O)NN=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations