Geometry & MOs

Info

ID:	53492
PubChem CID:	14716362
Reduced:	N3C44H79 (1)
Stoich.:	A3B44C79 (1)
Weight, g/mol:	777.5397
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	4.69
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octadecyl-3-octadecyliminoisoindol-1-amine;hydroiodide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC1=NC(=NCCCCCCCCCCCCCCCCCC)C2=CC=CC=C21

DOS

IR

Vibrations