Geometry & MOs

Info

ID:	268655
PubChem CID:	103600346
Reduced:	INO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	399.04437
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxy-5-iodobenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations