Geometry & MOs

Info

ID:

444233

PubChem CID:

135261818

Reduced:

ClO5N7C46H52 (1)

Stoich.:

AB5C7D46E52 (1)

Weight, g/mol:

327.144613

ΔHf, kcal/mol:

-131.62

Dipole, Da:

5.28

IP(EA), eV:

 -8.71(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,4-dimethyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-10-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(C=C7)C8CCC(=O)NC8=O)C

DOS

IR

Vibrations