Geometry & MOs

Info

ID:	45891
PubChem CID:	10518772
Reduced:	ClOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	304.90098
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	4.95
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6,7-dichloro-2-methoxyquinoline

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/Cl

DOS

IR

Vibrations