Geometry & MOs

Info

ID:	382999
PubChem CID:	134974479
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	417.227714
ΔH_f, kcal/mol:	17.88
Dipole, Da:	3.07
IP(EA), eV:	-8.99(1.48)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

[5,8-bis[ethoxy(oxido)methylidene]-1,3,3a,3b,4,6,6a,6b,7,9,9a,9b-dodecahydrocyclopenta[e]-as-indacen-2-ylidene]-ethoxymethanolate

Drug info:

PubChemData

Smile

CC1C(C1([N+]#[C-])N2CCOCC2)C

DOS

IR

Vibrations