Geometry & MOs

Info

ID:	400331
PubChem CID:	135047607
Reduced:	MoO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	692.366191
ΔH_f, kcal/mol:	108.2
Dipole, Da:	3.85
IP(EA), eV:	-5.89(0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

carbon monoxide;3,5-ditert-butylbenzene-1,2-diol;molybdenum;tetraethylazanium

Drug info:

PubChemData

Smile

CC1=C(CCCO1)C(=[Mo])COC/C=C/C=C

DOS

IR

Vibrations