Geometry & MOs

Info

ID:

325969

PubChem CID:

126685838

Reduced:

N2O2C31H58 (2)

Stoich.:

A2B2C31D58 (2)

Weight, g/mol:

440.16714

ΔHf, kcal/mol:

-400.35

Dipole, Da:

0.45

IP(EA), eV:

 -9.44(0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(hydroxymethyl)-13-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-10,12-dione

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCNC(=O)C1C(CC(C(C1)C(=O)NCC(CCCC)CC)C(=O)NCC(CCCC)CC)C(=O)NCCCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations