Geometry & MOs

Info

ID:	398173
PubChem CID:	135032145
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	445.94524
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	4.96
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dibromo-2-(4-methoxyphenyl)-8,8a-dihydro-7H-azulene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O

DOS

IR

Vibrations