Geometry & MOs

Info

ID:

181244

PubChem CID:

76721117

Reduced:

ClRuO3N4H37C40 (1)

Stoich.:

ABC3D4E37F40 (1)

Weight, g/mol:

390.10552

ΔHf, kcal/mol:

382.64

Dipole, Da:

2.94

IP(EA), eV:

 -6.58(-3.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-bromo-4-(3-ethylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CCN[CH-]2)C.C1=CC=C(C=C1)C2=CC(=[Ru]Cl)C3=CC=CC=C32.C1=CC(=CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C=C1

DOS

IR

Vibrations