Geometry & MOs

Info

ID:	1536
PubChem CID:	4658
Reduced:	IO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	542.11787
ΔH_f, kcal/mol:	31.08
Dipole, Da:	3.79
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)I

DOS

IR

Vibrations