Geometry & MOs

Info

ID:	432634
PubChem CID:	135172770
Reduced:	O2F3N4C27H27 (1)
Stoich.:	A2B3C4D27E27 (1)
Weight, g/mol:	559.23111
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	7.01
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations