Geometry & MOs

Info

ID:	433821
PubChem CID:	135173964
Reduced:	S2O8C21H36 (1)
Stoich.:	A2B8C21D36 (1)
Weight, g/mol:	399.10189
ΔH_f, kcal/mol:	-400.72
Dipole, Da:	3.09
IP(EA), eV:	-10.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide

Drug info:

PubChemData

Smile

CC1CC2(CCCC(C1)(C2)C3CCCC(C3)C(=O)OCCS(=O)(=O)O)CCS(=O)(=O)O

DOS

IR

Vibrations