Geometry & MOs

Info

ID:	410064
PubChem CID:	135082853
Reduced:	C2H3 (12)
Stoich.:	A2B3 (12)
Weight, g/mol:	130.075154
ΔH_f, kcal/mol:	8.93
Dipole, Da:	0.07
IP(EA), eV:	-8.45(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dideuterioazulene

Drug info:

PubChemData

Smile

CC.CC.CC.C1CC2=CC3=CC(=C2)CCC4=CC1=CC(=C4)CC3

DOS

IR

Vibrations