Geometry & MOs

Info

ID:	47040
PubChem CID:	10529122
Reduced:	NCl3H5C10 (2)
Stoich.:	AB3C5D10 (2)
Weight, g/mol:	364.285169
ΔH_f, kcal/mol:	65.96
Dipole, Da:	7.92
IP(EA), eV:	-9.7(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,8S,12R,14R)-8,12-dimethyl-3-oxo-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-4-yl]methyl-dimethyl-pentylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations