Geometry & MOs

Info

ID:	410221
PubChem CID:	135083012
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	208.088815
ΔH_f, kcal/mol:	49.82
Dipole, Da:	1.65
IP(EA), eV:	-8.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxybenzo[f]azulene

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC2=CC3=CC=CC=C31

DOS

IR

Vibrations