Geometry & MOs

Info

ID:

190032

PubChem CID:

77943492

Reduced:

O2N3C16H19 (3)

Stoich.:

A2B3C16D19 (3)

Weight, g/mol:

407.282429

ΔHf, kcal/mol:

-169.56

Dipole, Da:

4.44

IP(EA), eV:

 -9.08(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,7,15-trimethyl-14-pyridin-3-yl-5-tricyclo[8.7.0.011,15]heptadeca-7,13-dienyl) acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C7=CC=CC=C7)NC(=O)N8CCC(CC8)(C)O)NC(=O)OC

DOS

IR

Vibrations