Geometry & MOs

Info

ID:	225207
PubChem CID:	85747932
Reduced:	CH (16)
Stoich.:	AB (16)
Weight, g/mol:	208.125201
ΔH_f, kcal/mol:	50.03
Dipole, Da:	0.76
IP(EA), eV:	-8.75(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,10,11-tetrahydrobenzo[a]heptalene

Drug info:

PubChemData

Smile

C1CC2=CCCC3=CC=CC=C3C2=CC=C1

DOS

IR

Vibrations