Geometry & MOs

Info

ID:	389744
PubChem CID:	134994955
Reduced:	MoPH6O7C8 (1)
Stoich.:	ABC6D7E8 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	9.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779559
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5,6-dimethoxydeca-1,5,9-triene

Drug info:

PubChemData

Smile

CCOC(=O)P=[Mo].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations