Geometry & MOs

Info

ID:	182949
PubChem CID:	76962081
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	820.945152
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	3.46
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(2R)-2-ethylhexyl]-dimethyl-octadecylazanium;[(2S)-2-ethylhexyl]-dimethyl-octadecylazanium

Drug info:

PubChemData

Smile

C[C@H]1[C@](CCCN1CC(=O)C2=CC=CC=C2)(C)C3=CC(=CC=C3)O

DOS

IR

Vibrations