Geometry & MOs

Info

ID:	268594
PubChem CID:	103600152
Reduced:	INO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	346.01782
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	4.43
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-5-iodophenyl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations