Geometry & MOs

Info

ID:	385992
PubChem CID:	134980483
Reduced:	H22C25 (1)
Stoich.:	A22B25 (1)
Weight, g/mol:	104.0626
ΔH_f, kcal/mol:	94.43
Dipole, Da:	0.51
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-tricyclo[3.2.1.02,7]octa-1(8),3-diene

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]([C@@]1(CC=CC3=CC=CC=C23)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations