Geometry & MOs

Info

ID:

88625

PubChem CID:

49955766

Reduced:

ClN3C14H17 (1)

Stoich.:

AB3C14D17 (1)

Weight, g/mol:

242.01805

ΔHf, kcal/mol:

59.75

Dipole, Da:

4.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780778

Charge, e:

 -1

Chem-info

IUPAC name:

8-methoxy-1,2,3,4-tetrahydroquinoline;bromide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)N3CCNCC3.[Cl-]

DOS

IR

Vibrations