Geometry & MOs

Info

ID:	308052
PubChem CID:	125316757
Reduced:	BrON4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	511.210721
ΔH_f, kcal/mol:	75.66
Dipole, Da:	3.82
IP(EA), eV:	-9.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,8R)-2-(3,4-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C=CN=C1/C=N\NC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations