Geometry & MOs

Info

ID:

88624

PubChem CID:

49955761

Reduced:

BrClNC12H16 (1)

Stoich.:

ABCD12E16 (1)

Weight, g/mol:

262.1111

ΔHf, kcal/mol:

7.6

Dipole, Da:

2.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754787

Charge, e:

 -1

Chem-info

IUPAC name:

2-methyl-4-piperazin-1-ylquinoline;chloride

Drug info:

PubChemData

Smile

C1CCC(C1)NCC2=CC=C(C=C2)Cl.[Br-]

DOS

IR

Vibrations