Geometry & MOs

Info

ID:	409069
PubChem CID:	135081843
Reduced:	BC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	136.065432
ΔH_f, kcal/mol:	13.28
Dipole, Da:	1.2
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(CC)(CC)C1C=CC2=CC=CC=C12

DOS

IR

Vibrations