Geometry & MOs

Info

ID:	19815
PubChem CID:	573347
Reduced:	IO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	400.00324
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	7.23
IP(EA), eV:	-8.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxy-5-iodo-4-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C(=O)NN=CC2=CC(=C(C(=C2)I)OC)O

DOS

IR

Vibrations