Geometry & MOs

Info

ID:	320816
PubChem CID:	126663710
Reduced:	N2H5C6 (4)
Stoich.:	A2B5C6 (4)
Weight, g/mol:	495.91835
ΔH_f, kcal/mol:	203.42
Dipole, Da:	11.9
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,6,7-tribromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C2CCCN3C2=C(C(=C1N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6)N=C3C

DOS

IR

Vibrations