Geometry & MOs

Info

ID:

88674

PubChem CID:

49956047

Reduced:

BrClN4C8H11 (1)

Stoich.:

ABC4D8E11 (1)

Weight, g/mol:

475.106074

ΔHf, kcal/mol:

67.01

Dipole, Da:

2.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.912269

Charge, e:

 -1

Chem-info

IUPAC name:

5-(furan-2-carbonyl)-6,9-bis(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C=N2)Br.[Cl-]

DOS

IR

Vibrations