Geometry & MOs

Info

ID:

191694

PubChem CID:

78178292

Reduced:

MnP3N5C10H14O14 (1)

Stoich.:

AB3C5D10E14F14 (1)

Weight, g/mol:

278.118591

ΔHf, kcal/mol:

-627.21

Dipole, Da:

10.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.682560

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-].[Mn+2]

DOS

IR

Vibrations