Geometry & MOs

Info

ID:	183793
PubChem CID:	77070231
Reduced:	IO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	374.06036
ΔH_f, kcal/mol:	-5.75
Dipole, Da:	2.55
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]ethanimidamide

Drug info:

PubChemData

Smile

COCCN(CCC(=NO)N)CC1=CC=C(C=C1)I

DOS

IR

Vibrations