Geometry & MOs

Info

ID:	409944
PubChem CID:	135082731
Reduced:	C9H11 (2)
Stoich.:	A9B11 (2)
Weight, g/mol:	130.075154
ΔH_f, kcal/mol:	57.59
Dipole, Da:	0.61
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dideuterioazulene

Drug info:

PubChemData

Smile

C1CC[C]2[CH][CH][C]([CH]2)CCCC[C]3[CH][CH][C](C1)[CH]3

DOS

IR

Vibrations