Geometry & MOs

Info

ID:	58448
PubChem CID:	24701834
Reduced:	O3C8H16 (1)
Stoich.:	A3B8C16 (1)
Weight, g/mol:	279.94029
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	2.67
IP(EA), eV:	-9.94(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-chloro-8-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OCCOCC1CO1

DOS

IR

Vibrations