Geometry & MOs

Info

ID:

296685

PubChem CID:

117588525

Reduced:

BrSO4N5H20C26 (1)

Stoich.:

ABC4D5E20F26 (1)

Weight, g/mol:

447.215806

ΔHf, kcal/mol:

17.31

Dipole, Da:

5.03

IP(EA), eV:

 -9.32(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-11,11-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2)OCC(=O)NC5=CC(=CC=C5)Br

DOS

IR

Vibrations