Geometry & MOs

Info

ID:	22350
PubChem CID:	596874
Reduced:	H6C7 (2)
Stoich.:	A6B7 (2)
Weight, g/mol:	180.0939
ΔH_f, kcal/mol:	69.93
Dipole, Da:	0.52
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[7.4.1.01,9.02,7]tetradeca-2,4,6,10,12-pentaene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C34C1(C3)C=CC=C4

DOS

IR

Vibrations