Geometry & MOs

Info

ID:

189845

PubChem CID:

77914024

Reduced:

N2O2C37H52 (1)

Stoich.:

A2B2C37D52 (1)

Weight, g/mol:

496.366493

ΔHf, kcal/mol:

9.35

Dipole, Da:

7.33

IP(EA), eV:

 -6.2(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,9,9,13,14-pentamethyl-5-oxo-20-propan-2-yl-6,7-diazahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracos-7-ene-17-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC6=C(C5(C)C)N(N=C6)C7=CC=CC=C7)C)C)C(=O)O

DOS

IR

Vibrations