Geometry & MOs

Info

ID:

425368

PubChem CID:

135126074

Reduced:

N3O3C27H31 (1)

Stoich.:

A3B3C27D31 (1)

Weight, g/mol:

416.207307

ΔHf, kcal/mol:

-52.36

Dipole, Da:

3.68

IP(EA), eV:

 -8.7(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(1H-imidazol-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCONC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)C)CC1

DOS

IR

Vibrations