Geometry & MOs

Info

ID:	268621
PubChem CID:	103600232
Reduced:	BrINOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	385.05388
ΔH_f, kcal/mol:	9.93
Dipole, Da:	2.8
IP(EA), eV:	-8.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-5-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations