Geometry & MOs

Info

ID:	329337
PubChem CID:	126734935
Reduced:	NO2C6H11 (1)
Stoich.:	AB2C6D11 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	1.96
IP(EA), eV:	-9.34(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chloro-1H-indol-3-yl)-2-formylbutyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-4a-carboxylic acid

Drug info:

PubChemData

Smile

C1=C[C@H](N[C@H]1CO)CO

DOS

IR

Vibrations