Geometry & MOs

Info

ID:	303552
PubChem CID:	124489896
Reduced:	O2N3H27C28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-11.19
Dipole, Da:	7.34
IP(EA), eV:	-8.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(6-bromoindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)CCN4C5=CC=CC=C5C=C4C6=CC=CC=C6

DOS

IR

Vibrations