Geometry & MOs

Info

ID:

25097

PubChem CID:

618953

Reduced:

ZrC15H18 (2)

Stoich.:

AB15C18 (2)

Weight, g/mol:

332.163711

ΔHf, kcal/mol:

225.47

Dipole, Da:

2.72

IP(EA), eV:

 -5.68(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-(morpholin-4-ylmethyl)-7-prop-1-en-2-ylazulene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C[C-]=[CH-].C[C-]=[CH-].C[C-]1[CH-][CH-][CH-][CH-]1.C[C-]1[CH-][CH-][CH-][CH-]1.C[C-]1[CH-][CH-][CH-][CH-]1.C[C-]1[CH-][CH-][CH-][CH-]1.[Zr].[Zr]

DOS

IR

Vibrations