Geometry & MOs

Info

ID:	329353
PubChem CID:	126735170
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	472.158742
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	4.79
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(4-chloro-1H-indol-3-yl)-3-(2,3-dihydrothiophen-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCCCC1N(CCC2)C(=O)CCN3C4=CC=CC=C4NN3

DOS

IR

Vibrations