Geometry & MOs

Info

ID:

221728

PubChem CID:

85286082

Reduced:

N2O3C41H46 (1)

Stoich.:

A2B3C41D46 (1)

Weight, g/mol:

616.35681

ΔHf, kcal/mol:

-37.28

Dipole, Da:

6.32

IP(EA), eV:

 -8.84(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-acetyl-6,10-dimethyl-5-(6-methylheptan-2-yl)-13-tetracyclo[7.6.0.02,6.010,14]pentadecanyl]methyl-methylmercury

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(CCCN=CC2=CC=CC=C2)(C=C)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations