Geometry & MOs

Info

ID:

121855

PubChem CID:

50784223

Reduced:

N4O4H28C29 (1)

Stoich.:

A4B4C28D29 (1)

Weight, g/mol:

475.200825

ΔHf, kcal/mol:

-69.35

Dipole, Da:

3.99

IP(EA), eV:

 -8.25(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations