Geometry & MOs

Info

ID:	325991
PubChem CID:	126685926
Reduced:	IN2O2C9H17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	311.04946
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	2.51
IP(EA), eV:	-8.85(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(3-piperazin-1-ylpropyl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1CCCNC(=O)CI

DOS

IR

Vibrations