Geometry & MOs

Info

ID:

44000

PubChem CID:

10322836

Reduced:

ON2C15H15 (2)

Stoich.:

AB2C15D15 (2)

Weight, g/mol:

478.236876

ΔHf, kcal/mol:

35.14

Dipole, Da:

5.13

IP(EA), eV:

 -8.58(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-benzyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)(C#N)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N)OC

DOS

IR

Vibrations