Geometry & MOs

Info

ID:	432643
PubChem CID:	135172779
Reduced:	NO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	573.24676
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	5.41
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[3-[(2,6,7-triethylcycloundecyl)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CN(CC(=O)O)C1=CC2=C(C=C1)C3=CC=CC=C3O2

DOS

IR

Vibrations