Geometry & MOs

Info

ID:

324060

PubChem CID:

126676854

Reduced:

FO3N4C23H27 (1)

Stoich.:

AB3C4D23E27 (1)

Weight, g/mol:

467.19574

ΔHf, kcal/mol:

-137.46

Dipole, Da:

4.9

IP(EA), eV:

 -9.45(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(3-methoxycyclohepta-1,3,6-trien-1-yl)-N-(5-methoxypyridin-3-yl)-12-methyl-2,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,10,13-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC4(C3)CC(C4)N)F

DOS

IR

Vibrations