Geometry & MOs

Info

ID:	165010
PubChem CID:	74483326
Reduced:	NO2C22H38 (1)
Stoich.:	AB2C22D38 (1)
Weight, g/mol:	335.189016
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	4.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754057
Charge, e:	1

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-[(5,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC[NH3+]

DOS

IR

Vibrations