Geometry & MOs

Info

ID:	150195
PubChem CID:	53789882
Reduced:	OC29H36 (1)
Stoich.:	AB29C36 (1)
Weight, g/mol:	394.94213
ΔH_f, kcal/mol:	15.61
Dipole, Da:	1.75
IP(EA), eV:	-8.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-7-chloro-5-iodo-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C#CC=CC2CCC(CC2)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations